Alanine, N-(2-chloronicotinoyl)-3-phenyl-
TL;DR: Alanine, N-(2-chloronicotinoyl)-3-phenyl- (CAS 76980-23-9) is a chemical compound with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloropyridine-3-carbonyl)amino]-3-phenylpropanoic acid
Also Known As: N-(2-Chloronicotinoyl)-3-phenylalanine, ALANINE, N-(2-CHLORONICOTINOYL)-3-PHENYL-, N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine, N-[(2-Chloropyridin-3-yl)(hydroxy)methylidene]phenylalanine, 2-[(2-chloro(3-pyridyl))carbonylamino]-3-phenylpropanoic acid
| Molecular Formula | C15H13ClN2O3 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.06146 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
| Solubility | 35 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 76980-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(N=CC=C2)Cl |
| InChIKey | XYXVAIJEBDFXQB-UHFFFAOYSA-N |
Product Overview
Alanine, N-(2-chloronicotinoyl)-3-phenyl- (CAS 76980-23-9), with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol. IUPAC: 2-[(2-chloropyridine-3-carbonyl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of Alanine, N-(2-chloronicotinoyl)-3-phenyl-
Property Insights of Alanine, N-(2-chloronicotinoyl)-3-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(2-chloronicotinoyl)-3-phenyl-. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(2-chloronicotinoyl)-3-phenyl-. Following Lipinski's Rule of Five, Alanine, N-(2-chloronicotinoyl)-3-phenyl- 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 Alanine, N-(2-chloronicotinoyl)-3-phenyl-?
The CAS number of Alanine, N-(2-chloronicotinoyl)-3-phenyl- is 76980-23-9.
What is the molecular formula of Alanine, N-(2-chloronicotinoyl)-3-phenyl-?
The molecular formula of Alanine, N-(2-chloronicotinoyl)-3-phenyl- is C15H13ClN2O3.
What is the molecular weight of Alanine, N-(2-chloronicotinoyl)-3-phenyl-?
The molecular weight of Alanine, N-(2-chloronicotinoyl)-3-phenyl- is 304.06 g/mol.
Where can I buy Alanine, N-(2-chloronicotinoyl)-3-phenyl-?
You can request a quote for Alanine, N-(2-chloronicotinoyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(2-chloronicotinoyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(2-chloronicotinoyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.