4-(2-Methoxyanilino)-4-oxobutanoic acid
TL;DR: 4-(2-Methoxyanilino)-4-oxobutanoic acid (CAS 76475-60-0) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyanilino)-4-oxobutanoic acid
Also Known As: 4-(2-methoxyanilino)-4-oxobutanoic acid, CBKinase1_000204, CBKinase1_012604, 4-[(2-methoxyphenyl)amino]-4-oxobutanoic acid, IFLab1_000734
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 76475-60-0 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CCC(=O)O |
| InChIKey | PRKZZDBCWQJVMT-UHFFFAOYSA-N |
Product Overview
4-(2-Methoxyanilino)-4-oxobutanoic acid (CAS 76475-60-0), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 4-(2-methoxyanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Methoxyanilino)-4-oxobutanoic acid
Property Insights of 4-(2-Methoxyanilino)-4-oxobutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxyanilino)-4-oxobutanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methoxyanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Methoxyanilino)-4-oxobutanoic 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 4-(2-Methoxyanilino)-4-oxobutanoic acid?
The CAS number of 4-(2-Methoxyanilino)-4-oxobutanoic acid is 76475-60-0.
What is the molecular formula of 4-(2-Methoxyanilino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Methoxyanilino)-4-oxobutanoic acid is C11H13NO4.
What is the molecular weight of 4-(2-Methoxyanilino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Methoxyanilino)-4-oxobutanoic acid is 223.08 g/mol.
Where can I buy 4-(2-Methoxyanilino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Methoxyanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methoxyanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxyanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.