![6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid structure](/static/products/3510/351001-19-9.webp)
6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
TL;DR: 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 351001-19-9) is a chemical compound with molecular formula C25H35NO5S and molecular weight 461.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-((3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, cyclododeca[b]thiophene-3-carboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, 3-ethyl ester, 6-([[3-(ETHOXYCARBONYL)-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIEN-2-YL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
| Molecular Formula | C25H35NO5S |
|---|---|
| Molecular Weight | 461.22 g/mol |
| LogP | 5.7497 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.2236 |
| Heavy Atoms | 32 |
| Complexity | 843.63043 |
Chemical Identifiers
| CAS Number | 351001-19-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 351001-19-9), with molecular formula C25H35NO5S and molecular weight 461.22 g/mol. IUPAC: 6-[(3-ethoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Property Insights of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
The XLogP value of 5.7497 indicates that 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic 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 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic 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 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 351001-19-9.
What is the molecular formula of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is C25H35NO5S.
What is the molecular weight of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 461.22 g/mol.
Where can I buy 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.