![N-[3,4-Dichlorophenyl]-beta-alanine structure](/static/products/3139/31399-32-3.webp)
N-[3,4-Dichlorophenyl]-beta-alanine
TL;DR: N-[3,4-Dichlorophenyl]-beta-alanine (CAS 31399-32-3) is a chemical compound with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichloroanilino)propanoic acid
Also Known As: N-[3,4-Dichlorophenyl]-beta-alanine, 3-(3,4-Dichloroanilino)propanoic acid, 3-[(3,4-dichlorophenyl)amino]propanoic acid, N-[3,4-Dichlorophenyl]-.beta.-alanine, 3-(3,4-Dichloroanilino)propanoic acid #
| Molecular Formula | C9H9Cl2NO2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.00104 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 31399-32-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCCC(=O)O)Cl)Cl |
| InChIKey | DMALXOMZQXHECQ-UHFFFAOYSA-N |
Product Overview
N-[3,4-Dichlorophenyl]-beta-alanine (CAS 31399-32-3), with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol. IUPAC: 3-(3,4-dichloroanilino)propanoic acid.
Chemical Property Profile of N-[3,4-Dichlorophenyl]-beta-alanine
Property Insights of N-[3,4-Dichlorophenyl]-beta-alanine
The XLogP value of 3.4 indicates that N-[3,4-Dichlorophenyl]-beta-alanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, N-[3,4-Dichlorophenyl]-beta-alanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3,4-Dichlorophenyl]-beta-alanine has 2 hydrogen bond donor(s) and 3 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 N-[3,4-Dichlorophenyl]-beta-alanine?
The CAS number of N-[3,4-Dichlorophenyl]-beta-alanine is 31399-32-3.
What is the molecular formula of N-[3,4-Dichlorophenyl]-beta-alanine?
The molecular formula of N-[3,4-Dichlorophenyl]-beta-alanine is C9H9Cl2NO2.
What is the molecular weight of N-[3,4-Dichlorophenyl]-beta-alanine?
The molecular weight of N-[3,4-Dichlorophenyl]-beta-alanine is 233.00 g/mol.
Where can I buy N-[3,4-Dichlorophenyl]-beta-alanine?
You can request a quote for N-[3,4-Dichlorophenyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,4-Dichlorophenyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[3,4-Dichlorophenyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.