![2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid structure](/static/products/3510/351000-84-5.webp)
2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
TL;DR: 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 351000-84-5) is a chemical compound with molecular formula C25H37NO5S and molecular weight 463.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, cyclododeca[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, 3-ethyl ester, 2-([[3-(ETHOXYCARBONYL)-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIEN-2-YL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID, 2-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, 2-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[1,2-d]th iophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
| Molecular Formula | C25H37NO5S |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | 5.9737 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.23926 |
| Heavy Atoms | 32 |
| Complexity | 802.4981 |
Chemical Identifiers
| CAS Number | 351000-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3CCCCC3C(=O)O |
Product Overview
2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 351000-84-5), with molecular formula C25H37NO5S and molecular weight 463.24 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Property Insights of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
The XLogP value of 5.9737 indicates that 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The CAS number of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 351000-84-5.
What is the molecular formula of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular formula of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is C25H37NO5S.
What is the molecular weight of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular weight of 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 463.24 g/mol.
Where can I buy 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
You can request a quote for 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.