![3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/4918/491828-68-3.webp)
3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 491828-68-3) is a chemical compound with molecular formula C24H27NO6S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,4-dimethylphenyl)-3-propoxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[4-(2,4-dimethylphenyl)-3-propoxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[[4-(2,4-dimethylphenyl)-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[4-(2,4-dimethylphenyl)-3-propoxycarbonyl-2-thienyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[4-(2,4-dimethylphenyl)-3-propoxycarbonyl-thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
| Molecular Formula | C24H27NO6S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.41544 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1559 |
| Heavy Atoms | 32 |
| Complexity | 1060.754 |
Chemical Identifiers
| CAS Number | 491828-68-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 491828-68-3), with molecular formula C24H27NO6S and molecular weight 457.16 g/mol. IUPAC: 3-[[4-(2,4-dimethylphenyl)-3-propoxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 4.41544 indicates that 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 491828-68-3.
What is the molecular formula of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C24H27NO6S.
What is the molecular weight of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 457.16 g/mol.
Where can I buy 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[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-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(2,4-dimethylphenyl)-3-(propoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.