![3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/1005/1005252-33-4.webp)
3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005252-33-4) is a chemical compound with molecular formula C23H25NO6S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[3-carbethoxy-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-(ethoxycarbonyl)-5-methyl-4-(p-tolyl)thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C23H25NO6S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 4.02534 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.14026 |
| Heavy Atoms | 31 |
| Complexity | 1027.4329 |
Chemical Identifiers
| CAS Number | 1005252-33-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005252-33-4), with molecular formula C23H25NO6S and molecular weight 443.14 g/mol. IUPAC: 3-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 4.02534 indicates that 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-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-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-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-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 1005252-33-4.
What is the molecular formula of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C23H25NO6S.
What is the molecular weight of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 443.14 g/mol.
Where can I buy 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-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-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-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.