![2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid structure](/static/products/4888/488821-89-2.webp)
2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
TL;DR: 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 488821-89-2) 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-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid, 2-({[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid, 2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, 3-methyl ester, 2-([[6-TERT-BUTYL-3-(METHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID
| Molecular Formula | C22H31NO5S |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 4.5152 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1923 |
| Heavy Atoms | 29 |
| Complexity | 806.86 |
Chemical Identifiers
| CAS Number | 488821-89-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O |
Product Overview
2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 488821-89-2), with molecular formula C22H31NO5S and molecular weight 421.19 g/mol. IUPAC: 2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
Property Insights of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid
The XLogP value of 4.5152 indicates that 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[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-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[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-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The CAS number of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is 488821-89-2.
What is the molecular formula of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular formula of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is C22H31NO5S.
What is the molecular weight of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular weight of 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid is 421.19 g/mol.
Where can I buy 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
You can request a quote for 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[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-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.