![4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid structure](/static/products/5766/57662-89-2.webp)
4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid
TL;DR: 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid (CAS 57662-89-2) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[N-(2-chloroprop-2-enyl)-3-methoxyanilino]butanoic acid
Also Known As: 4-[N-(2-chloroprop-2-enyl)-3-methoxyanilino]butanoic acid, 4-[(2-chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid
| Molecular Formula | C14H18ClNO3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.09753 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 57662-89-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N(CCCC(=O)O)CC(=C)Cl |
| InChIKey | RHMGPMRXTNDPES-UHFFFAOYSA-N |
Product Overview
4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid (CAS 57662-89-2), with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol. IUPAC: 4-[N-(2-chloroprop-2-enyl)-3-methoxyanilino]butanoic acid.
Chemical Property Profile of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid
Property Insights of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid has 1 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-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid?
The CAS number of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid is 57662-89-2.
What is the molecular formula of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid?
The molecular formula of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid is C14H18ClNO3.
What is the molecular weight of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid?
The molecular weight of 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid is 283.10 g/mol.
Where can I buy 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid?
You can request a quote for 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic 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-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloroprop-2-en-1-yl)(3-methoxyphenyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.