![3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4894/489407-49-0.webp)
3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 489407-49-0) is a chemical compound with molecular formula C15H14ClNO5 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-chloro-2-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(5-chloro-2-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((5-chloro-2-methoxyphenyl)carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C15H14ClNO5 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 1.9413 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.05606 |
| Heavy Atoms | 22 |
| Complexity | 659.33295 |
Chemical Identifiers
| CAS Number | 489407-49-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
Product Overview
3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 489407-49-0), with molecular formula C15H14ClNO5 and molecular weight 323.06 g/mol. IUPAC: 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 489407-49-0.
What is the molecular formula of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C15H14ClNO5.
What is the molecular weight of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 323.06 g/mol.
Where can I buy 3-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-[(5-chloro-2-methoxyanilino)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-[(5-chloro-2-methoxyanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-chloro-2-methoxyanilino)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.