Home Carboxes 100627-39-2
100627-39-2,MFCD00666419
Catalog No.:AA0002FZ
100627-39-2 | Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$165.00   $116.00
- +
250mg
95%
in stock  
$283.00   $198.00
- +
1g
95%
in stock  
$565.00   $396.00
- +
5g
95%
in stock  
$1,694.00   $1,186.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002FZ
Chemical Name:
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
CAS Number:
100627-39-2
Molecular Formula:
C21H25NO6S
Molecular Weight:
419.4913
MDL Number:
MFCD00666419
IUPAC Name:
methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C21H25NO6S/c1-4-28-20(23)10-7-15-22(19-9-6-5-8-18(19)21(24)27-3)29(25,26)17-13-11-16(2)12-14-17/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3
InChI Key:
MJSQCFDXCIVWRA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)OC
NSC Number:
105685
Properties
Computed Properties
 
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.14g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.492g/mol
Monoisotopic Mass:
419.14g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
100627-39-2 
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate 
CTK3J9138 
KS-00001BRV 
DTXSID50295843 
ACT03459 
ZINC1691751 
MFCD00666419 
AKOS022173234 
Methyl 2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoate 
NSC-105685 
AJ-30127 
2-[(3-Ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoic acid methyl ester 
AN-34353 
AX8138127 
CS-0035685 
methyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoate 
Methyl 2-[(4-ethoxy-4-oxobutyl)(4-methylbenzene-1-sulfonyl)amino]benzoate 
methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate 
Benzoic acid, 2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]-, methyl ester 
CID266879 
2-[(4-ETHOXY-4-OXOBUTYL)[(4-METHYLPHENYL)SULFONYL]AMINO]BENZOIC ACID METHYL ESTER 
Benzoic acid,2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]-, methyl ester 
MJSQCFDXCIVWRA-UHFFFAOYSA-N 
NSC105685 
ACMC-1BRV0 
AC1L6H0O 
SCHEMBL1495969 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products