3-(4-Chloro-2-nitroanilino)propanoic acid
TL;DR: 3-(4-Chloro-2-nitroanilino)propanoic acid (CAS 2963-45-3) is a chemical compound with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-2-nitroanilino)propanoic acid
Also Known As: 3-(4-chloro-2-nitroanilino)propanoic acid, 3-(4-chloro-2-nitroanilino)-propionic acid, B-alanine,n-(4-chloro-2-nitrophenyl)-, N-(4-chloro-2-nitrophenyl)-beta-alanine, 3-(4-chloro-2-nitrophenylamino)propionic acid
| Molecular Formula | C9H9ClN2O4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.02509 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2963-45-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCC(=O)O |
| InChIKey | CUJKGDAPMSUCRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chloro-2-nitroanilino)propanoic acid (CAS 2963-45-3), with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol. IUPAC: 3-(4-chloro-2-nitroanilino)propanoic acid.
Chemical Property Profile of 3-(4-Chloro-2-nitroanilino)propanoic acid
Property Insights of 3-(4-Chloro-2-nitroanilino)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-2-nitroanilino)propanoic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-2-nitroanilino)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Chloro-2-nitroanilino)propanoic acid has 2 hydrogen bond donor(s) and 5 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-(4-Chloro-2-nitroanilino)propanoic acid?
The CAS number of 3-(4-Chloro-2-nitroanilino)propanoic acid is 2963-45-3.
What is the molecular formula of 3-(4-Chloro-2-nitroanilino)propanoic acid?
The molecular formula of 3-(4-Chloro-2-nitroanilino)propanoic acid is C9H9ClN2O4.
What is the molecular weight of 3-(4-Chloro-2-nitroanilino)propanoic acid?
The molecular weight of 3-(4-Chloro-2-nitroanilino)propanoic acid is 244.03 g/mol.
Where can I buy 3-(4-Chloro-2-nitroanilino)propanoic acid?
You can request a quote for 3-(4-Chloro-2-nitroanilino)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-(4-Chloro-2-nitroanilino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-2-nitroanilino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.