![3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/4894/489452-21-3.webp)
3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 489452-21-3) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 3-thiophenecarboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-2-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-, 3-methyl ester, 2-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-([[4-(2,5-DIMETHYLPHENYL)-3-(METHOXYCARBONYL)-2-THIENYL]AMINO]CARBONYL)BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 4.50394 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 1026.596 |
Chemical Identifiers
| CAS Number | 489452-21-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O |
Product Overview
3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 489452-21-3), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: 3-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 4.50394 indicates that 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-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-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-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-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is 489452-21-3.
What is the molecular formula of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is C23H25NO5S.
What is the molecular weight of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is 427.15 g/mol.
Where can I buy 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-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-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.