![2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid structure](/static/products/4449/444927-92-8.webp)
2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
TL;DR: 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CAS 444927-92-8) is a chemical compound with molecular formula C23H32N2O3S and molecular weight 416.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-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-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid, 2-[N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[2,1-d]thiophen-2-yl )carbamoyl]cyclohexanecarboxylic acid, 2-{[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)amino]carbonyl}cyclohexanecarboxylic acid, 2-{[(3-CYANO-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHEN-2-YL)AMINO]CARBONYL}-1-CYCLOHEXANECARBOXYLIC ACID
| Molecular Formula | C23H32N2O3S |
|---|---|
| Molecular Weight | 416.21 g/mol |
| LogP | 5.66868 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.21338 |
| Heavy Atoms | 29 |
| Complexity | 764.9079 |
Chemical Identifiers
| CAS Number | 444927-92-8 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3CCCCC3C(=O)O)C#N |
Product Overview
2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CAS 444927-92-8), with molecular formula C23H32N2O3S and molecular weight 416.21 g/mol. IUPAC: 2-[(3-cyano-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-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Property Insights of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
The XLogP value of 5.66868 indicates that 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The CAS number of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is 444927-92-8.
What is the molecular formula of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The molecular formula of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is C23H32N2O3S.
What is the molecular weight of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The molecular weight of 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is 416.21 g/mol.
Where can I buy 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
You can request a quote for 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-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 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.