![3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid structure](/static/products/3135/313508-89-3.webp)
3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid
TL;DR: 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid (CAS 313508-89-3) is a chemical compound with molecular formula C15H13Cl2NO3 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-(4-chlorophenoxy)anilino]propanoic acid
Also Known As: ChemDiv3_000202, IDI1_019520, 3-[5-chloro-2-(4-chlorophenoxy)anilino]propanoic acid, N-[5-chloro-2-(4-chlorophenoxy)phenyl]-beta-alanine, BRD-K74927621-001-01-7
| Molecular Formula | C15H13Cl2NO3 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.02725 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 313508-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)NCCC(=O)O)Cl |
| InChIKey | IZWZFULJUUBOPD-UHFFFAOYSA-N |
Product Overview
3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid (CAS 313508-89-3), with molecular formula C15H13Cl2NO3 and molecular weight 325.03 g/mol. IUPAC: 3-[5-chloro-2-(4-chlorophenoxy)anilino]propanoic acid.
Chemical Property Profile of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid
Property Insights of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid
The XLogP value of 4.7 indicates that 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic 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-(4-chlorophenoxy)anilino]propanoic acid?
The CAS number of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid is 313508-89-3.
What is the molecular formula of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid?
The molecular formula of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid is C15H13Cl2NO3.
What is the molecular weight of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid?
The molecular weight of 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid is 325.03 g/mol.
Where can I buy 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid?
You can request a quote for 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic 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-(4-chlorophenoxy)anilino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-Chloro-2-(4-chlorophenoxy)anilino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.