![benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester structure](/static/products/4704/470472-60-7.webp)
benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester
TL;DR: benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester (CAS 470472-60-7) is a chemical compound with molecular formula C20H27NO5S and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester, 2-([[6-ETHYL-3-(METHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID, 2-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, 2-{[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, 2-{N-[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]carb amoyl}cyclohexanecarboxylic acid
| Molecular Formula | C20H27NO5S |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.8791 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.16098 |
| Heavy Atoms | 27 |
| Complexity | 740.9757 |
Chemical Identifiers
| CAS Number | 470472-60-7 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O |
Product Overview
benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester (CAS 470472-60-7), with molecular formula C20H27NO5S and molecular weight 393.16 g/mol. IUPAC: 2-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester
Property Insights of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester
The XLogP value of 3.8791 indicates that benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester. Following Lipinski's Rule of Five, benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester?
The CAS number of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester is 470472-60-7.
What is the molecular formula of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester?
The molecular formula of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester is C20H27NO5S.
What is the molecular weight of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester?
The molecular weight of benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester is 393.16 g/mol.
Where can I buy benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester?
You can request a quote for benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl 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-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.