![2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid structure](/static/products/4382/438233-11-5.webp)
2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
TL;DR: 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 438233-11-5) is a chemical compound with molecular formula C22H31NO5S and molecular weight 421.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, 2-((3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid, 2-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, 2-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10-heptahydrocyclonona[1,2-d]thiophen-2-y l]carbamoyl}cyclohexanecarboxylic acid
| Molecular Formula | C22H31NO5S |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 4.8034 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1923 |
| Heavy Atoms | 29 |
| Complexity | 756.6289 |
Chemical Identifiers
| CAS Number | 438233-11-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3CCCCC3C(=O)O |
Product Overview
2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 438233-11-5), with molecular formula C22H31NO5S and molecular weight 421.19 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Property Insights of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
The XLogP value of 4.8034 indicates that 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[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)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[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)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The CAS number of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 438233-11-5.
What is the molecular formula of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular formula of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is C22H31NO5S.
What is the molecular weight of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular weight of 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 421.19 g/mol.
Where can I buy 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
You can request a quote for 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[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)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.