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101782-20-1,MFCD00408072
Catalog No.:AA0005HZ
101782-20-1 | Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate
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Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$239.00   $168.00
- +
500mg
95.0%
3 weeks  
$397.00   $278.00
- +
1g
95.0%
3 weeks  
$539.00   $378.00
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Technical Information
Catalog Number:
AA0005HZ
Chemical Name:
Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate
CAS Number:
101782-20-1
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
MDL Number:
MFCD00408072
IUPAC Name:
ethyl 1-cyclohexyl-5-hydroxy-2-methylindole-3-carboxylate
InChI:
InChI=1S/C18H23NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h9-11,13,20H,3-8H2,1-2H3
InChI Key:
CXEMQLWMAUFGHN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c2c1cc(O)cc2)C1CCCCC1
Properties
Computed Properties
 
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate 
101782-20-1 
CTK4A0259 
ZINC36667 
DTXSID90347875 
HMS1534O22 
CCG-16928 
STK731401 
AKOS001054029 
MCULE-9170373066 
NE22721 
AJ-08722 
ethyl 1-cyclohexyl-5-hydroxy-2-methylindole-3-carboxylate 
ST001915 
RT-012518 
EU-0072119 
ST24046739 
EN300-15318 
SR-01000438600 
J-520533 
SR-01000438600-1 
BRD-K29960592-001-01-9 
Z55941848 
1H-Indole-3-carboxylicacid,1-cyclohexyl-5-hydroxy-2-methyl-,ethyl ester 
A1917/0080556 
Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate # 
1H-Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester 
Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester 
C18H23NO3 
CID627255 
ZINC00036618 
1-cyclohexyl-5-hydroxy-2-methyl-1h-indole-3-carboxylicacid ethyl ester 
CXEMQLWMAUFGHN-UHFFFAOYSA-N 
ACMC-20edcn 
AC1LCF0Y 
AC1Q32DK 
TimTec1_000330 
Oprea1_229431 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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