![2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid structure](/static/products/3545/354548-15-5.webp)
2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
TL;DR: 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid (CAS 354548-15-5) is a chemical compound with molecular formula C20H27NO5S and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid, 2-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)cyclohexanecarboxylic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester, 2-([[3-(ISOPROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID, 2-({[3-(ISOPROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-CYCLOHEXANECARBOXYLIC ACID
| Molecular Formula | C20H27NO5S |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 4.0216 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.16098 |
| Heavy Atoms | 27 |
| Complexity | 738.9757 |
Chemical Identifiers
| CAS Number | 354548-15-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3C(=O)O |
Product Overview
2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid (CAS 354548-15-5), with molecular formula C20H27NO5S and molecular weight 393.16 g/mol. IUPAC: 2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
Property Insights of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
The XLogP value of 4.0216 indicates that 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)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-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)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-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid?
The CAS number of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid is 354548-15-5.
What is the molecular formula of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid?
The molecular formula of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid is C20H27NO5S.
What is the molecular weight of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid?
The molecular weight of 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid is 393.16 g/mol.
Where can I buy 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid?
You can request a quote for 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)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-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.