3-(3,4-Dichloroanilino)butanoic acid
TL;DR: 3-(3,4-Dichloroanilino)butanoic acid (CAS 34129-52-7) is a chemical compound with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichloroanilino)butanoic acid
Also Known As: 3-(3,4-dichloroanilino)butanoic acid, 3-(3,4-dichloroanilino)butyric acid, 3-(3,4-dichloroanilino) butyric acid, 3-[(3,4-dichlorophenyl)amino]butanoic acid, Butanoic acid, 3-[(3,4-dichlorophenyl)amino]-
| Molecular Formula | C10H11Cl2NO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.01668 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 34129-52-7 |
|---|---|
| SMILES | CC(CC(=O)O)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | FQQKIYYXVGSHRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dichloroanilino)butanoic acid (CAS 34129-52-7), with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol. IUPAC: 3-(3,4-dichloroanilino)butanoic acid.
Chemical Property Profile of 3-(3,4-Dichloroanilino)butanoic acid
Property Insights of 3-(3,4-Dichloroanilino)butanoic acid
The XLogP value of 3.6 indicates that 3-(3,4-Dichloroanilino)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 3-(3,4-Dichloroanilino)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichloroanilino)butanoic acid 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 3-(3,4-Dichloroanilino)butanoic acid?
The CAS number of 3-(3,4-Dichloroanilino)butanoic acid is 34129-52-7.
What is the molecular formula of 3-(3,4-Dichloroanilino)butanoic acid?
The molecular formula of 3-(3,4-Dichloroanilino)butanoic acid is C10H11Cl2NO2.
What is the molecular weight of 3-(3,4-Dichloroanilino)butanoic acid?
The molecular weight of 3-(3,4-Dichloroanilino)butanoic acid is 247.02 g/mol.
Where can I buy 3-(3,4-Dichloroanilino)butanoic acid?
You can request a quote for 3-(3,4-Dichloroanilino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dichloroanilino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichloroanilino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.