![Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester structure](/static/products/7875/787560-17-2.webp)
Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
TL;DR: Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester (CAS 787560-17-2) is a chemical compound with molecular formula C24H23N3O3S and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester, (4-phenyldiazenylphenyl)carbamoylmethyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
| Molecular Formula | C24H23N3O3S |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 6.0838 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.14603 |
| Heavy Atoms | 31 |
| Complexity | 1091.0171 |
Chemical Identifiers
| CAS Number | 787560-17-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4 |
Product Overview
Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester (CAS 787560-17-2), with molecular formula C24H23N3O3S and molecular weight 433.15 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Property Insights of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
The XLogP value of 6.0838 indicates that Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester. Following Lipinski's Rule of Five, Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester?
The CAS number of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester is 787560-17-2.
What is the molecular formula of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester?
The molecular formula of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester is C24H23N3O3S.
What is the molecular weight of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester?
The molecular weight of Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester is 433.15 g/mol.
Where can I buy Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester?
You can request a quote for Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.