![3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/1005/1005251-30-8.webp)
3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005251-30-8) is a chemical compound with molecular formula C23H24ClNO6S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-chlorophenyl)-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[4-(4-chlorophenyl)-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[[4-(4-chlorophenyl)-5-methyl-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[4-(4-chlorophenyl)-3-isopropoxycarbonyl-5-methyl-2-thienyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 2-[[4-(4-chlorophenyl)-5-methyl-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
| Molecular Formula | C23H24ClNO6S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 4.75882 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.1013 |
| Heavy Atoms | 32 |
| Complexity | 1063.1841 |
Chemical Identifiers
| CAS Number | 1005251-30-8 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)OC(C)C)C4=CC=C(C=C4)Cl |
Product Overview
3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005251-30-8), with molecular formula C23H24ClNO6S and molecular weight 477.10 g/mol. IUPAC: 3-[[4-(4-chlorophenyl)-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 4.75882 indicates that 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-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-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-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-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 1005251-30-8.
What is the molecular formula of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C23H24ClNO6S.
What is the molecular weight of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 477.10 g/mol.
Where can I buy 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-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-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(4-chlorophenyl)-3-(isopropoxycarbonyl)-5-methyl-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.