![4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid structure](/static/products/3129/312926-90-2.webp)
4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid
TL;DR: 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid (CAS 312926-90-2) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2,3-dimethylphenoxy)anilino]-4-oxobutanoic acid
Also Known As: CBKinase1_000063, CBKinase1_012463, 4-[4-(2,3-dimethylphenoxy)anilino]-4-oxobutanoic acid, 4-{[4-(2,3-dimethylphenoxy)phenyl]amino}-4-oxobutanoic acid, BRD-K67864853-001-01-0
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 312926-90-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)O)C |
| InChIKey | SWLPPWIVUZBATG-UHFFFAOYSA-N |
Product Overview
4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid (CAS 312926-90-2), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 4-[4-(2,3-dimethylphenoxy)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid
Property Insights of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(2,3-Dimethylphenoxy)anilino]-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-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid?
The CAS number of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid is 312926-90-2.
What is the molecular formula of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid?
The molecular formula of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid is C18H19NO4.
What is the molecular weight of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid?
The molecular weight of 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid is 313.13 g/mol.
Where can I buy 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid?
You can request a quote for 4-[4-(2,3-Dimethylphenoxy)anilino]-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-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2,3-Dimethylphenoxy)anilino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.