![3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4918/491832-07-6.webp)
3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 491832-07-6) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-propoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(4-propoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{[4-(propoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-propoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 1.8461 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 710.78143 |
Chemical Identifiers
| CAS Number | 491832-07-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
Product Overview
3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 491832-07-6), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: 3-[(4-propoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-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-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 491832-07-6.
What is the molecular formula of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C18H19NO6.
What is the molecular weight of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 345.12 g/mol.
Where can I buy 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-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-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(propoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.