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2138423-47-7,MFCD31435911
Catalog No.:AA01EIH6
2138423-47-7 | tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
2 weeks  
$1,316.00
- +
250mg
95.0%
2 weeks  
$1,868.00
- +
500mg
95.0%
2 weeks  
$2,926.00
- +
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Technical Information
Catalog Number:
AA01EIH6
Chemical Name:
tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate
CAS Number:
2138423-47-7
Molecular Formula:
C25H28N2O2S2
Molecular Weight:
452.6320
MDL Number:
MFCD31435911
IUPAC Name:
tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C25H28N2O2S2/c1-25(2,3)29-24(28)27-13-11-26(12-14-27)20-7-5-9-22-19(20)16-23(31-22)17-6-4-8-21-18(17)10-15-30-21/h4-10,15,23H,11-14,16H2,1-3H3
InChI Key:
JKRIJPXWMPGCSN-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc2c1CC(S2)c1cccc2c1ccs2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.159g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.631g/mol
Monoisotopic Mass:
452.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  

Synonyms
 
2138423-47-7 
tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate 
Literature
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