beta-(1-Chloro-2-naphthyl)alanine
TL;DR: beta-(1-Chloro-2-naphthyl)alanine (CAS 58161-14-1) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(1-chloronaphthalen-2-yl)propanoic acid
Also Known As: beta-(1-Chloro-2-naphthyl)alanine, 3-(1-Chloronaphthalen-2-yl)alanine, 2-amino-3-(1-chloronaphthalen-2-yl)propanoic acid, 2-Naphthalenepropanoic acid, alpha-amino-1-chloro-, (+-)-, RefChem:119152
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 58161-14-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Cl)CC(C(=O)O)N |
| InChIKey | PONNGHZRDCRUDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(1-Chloro-2-naphthyl)alanine (CAS 58161-14-1), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 2-amino-3-(1-chloronaphthalen-2-yl)propanoic acid.
Chemical Property Profile of beta-(1-Chloro-2-naphthyl)alanine
Property Insights of beta-(1-Chloro-2-naphthyl)alanine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-(1-Chloro-2-naphthyl)alanine. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-(1-Chloro-2-naphthyl)alanine. Following Lipinski's Rule of Five, beta-(1-Chloro-2-naphthyl)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 beta-(1-Chloro-2-naphthyl)alanine?
The CAS number of beta-(1-Chloro-2-naphthyl)alanine is 58161-14-1.
What is the molecular formula of beta-(1-Chloro-2-naphthyl)alanine?
The molecular formula of beta-(1-Chloro-2-naphthyl)alanine is C13H12ClNO2.
What is the molecular weight of beta-(1-Chloro-2-naphthyl)alanine?
The molecular weight of beta-(1-Chloro-2-naphthyl)alanine is 249.06 g/mol.
Where can I buy beta-(1-Chloro-2-naphthyl)alanine?
You can request a quote for beta-(1-Chloro-2-naphthyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(1-Chloro-2-naphthyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for beta-(1-Chloro-2-naphthyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.