![2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid structure](/static/products/3545/354547-07-2.webp)
2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
TL;DR: 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 354547-07-2) is a chemical compound with molecular formula C21H29NO5S and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid, 2-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, cycloocta[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4,5,6,7,8,9-hexahydro-, 3-ethyl ester, 2-([[3-(ETHOXYCARBONYL)-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID
| Molecular Formula | C21H29NO5S |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.4133 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.17664 |
| Heavy Atoms | 28 |
| Complexity | 741.39954 |
Chemical Identifiers
| CAS Number | 354547-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3CCCCC3C(=O)O |
Product Overview
2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 354547-07-2), with molecular formula C21H29NO5S and molecular weight 407.18 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
Property Insights of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
The XLogP value of 4.4133 indicates that 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid 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 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid 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 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The CAS number of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is 354547-07-2.
What is the molecular formula of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular formula of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is C21H29NO5S.
What is the molecular weight of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular weight of 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is 407.18 g/mol.
Where can I buy 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
You can request a quote for 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.