![3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid structure](/static/products/4452/445239-80-5.webp)
3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
TL;DR: 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 445239-80-5) is a chemical compound with molecular formula C21H27NO5S and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 3,4-dimethyl-6-((3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 3,4-dimethyl-6-({[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 3,4-dimethyl-6-{N-[3-(propoxycarbonyl)(4,5,6-trihydrocyclopenta[1,2-d]thiophen -2-yl)]carbamoyl}cyclohex-3-enecarboxylic acid
| Molecular Formula | C21H27NO5S |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 4.1893 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.16098 |
| Heavy Atoms | 28 |
| Complexity | 838.0941 |
Chemical Identifiers
| CAS Number | 445239-80-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C |
Product Overview
3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 445239-80-5), with molecular formula C21H27NO5S and molecular weight 405.16 g/mol. IUPAC: 3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Property Insights of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
The XLogP value of 4.1893 indicates that 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[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 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-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 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The CAS number of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 445239-80-5.
What is the molecular formula of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is C21H27NO5S.
What is the molecular weight of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 405.16 g/mol.
Where can I buy 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[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 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[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.