![6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid structure](/static/products/4200/420092-69-9.webp)
6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
TL;DR: 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 420092-69-9) is a chemical compound with molecular formula C18H23NO5S and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4,5-dimethyl-3-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4,5-dimethyl-, 3-(1-methylethyl) ester, 6-({4,5-dimethyl-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid, 6-[(4,5-dimethyl-3-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-[(3-isopropoxycarbonyl-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C18H23NO5S |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.53564 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1297 |
| Heavy Atoms | 25 |
| Complexity | 719.29376 |
Chemical Identifiers
| CAS Number | 420092-69-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CC=CCC2C(=O)O)C |
Product Overview
6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 420092-69-9), with molecular formula C18H23NO5S and molecular weight 365.13 g/mol. IUPAC: 6-[(4,5-dimethyl-3-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
Property Insights of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
The XLogP value of 3.53564 indicates that 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-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-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic 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 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 420092-69-9.
What is the molecular formula of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is C18H23NO5S.
What is the molecular weight of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 365.13 g/mol.
Where can I buy 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-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-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.