3-(3-Pyridyl)-D-alanine methyl ester
TL;DR: 3-(3-Pyridyl)-D-alanine methyl ester (CAS 767268-80-4) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-amino-3-pyridin-3-ylpropanoate
Also Known As: 3-(3-Pyridyl)-D-alanine methyl ester, H--(3-Pyridyl)-D-Ala-OMe 2 HCl, Methyl (R)-2-amino-3-(pyridin-3-yl)propanoate, methyl (2R)-2-amino-3-pyridin-3-ylpropanoate, Methyl 2-amino-3-pyridin-3-yl-propanoate
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.1244 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 274.203 |
Chemical Identifiers
| CAS Number | 767268-80-4 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CN=CC=C1)N |
Product Overview
3-(3-Pyridyl)-D-alanine methyl ester (CAS 767268-80-4), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: methyl (2R)-2-amino-3-pyridin-3-ylpropanoate.
Chemical Property Profile of 3-(3-Pyridyl)-D-alanine methyl ester
Property Insights of 3-(3-Pyridyl)-D-alanine methyl ester
The XLogP value of 0.1244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Pyridyl)-D-alanine methyl ester. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Pyridyl)-D-alanine methyl ester. Following Lipinski's Rule of Five, 3-(3-Pyridyl)-D-alanine methyl ester has 1 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-(3-Pyridyl)-D-alanine methyl ester?
The CAS number of 3-(3-Pyridyl)-D-alanine methyl ester is 767268-80-4.
What is the molecular formula of 3-(3-Pyridyl)-D-alanine methyl ester?
The molecular formula of 3-(3-Pyridyl)-D-alanine methyl ester is C9H12N2O2.
What is the molecular weight of 3-(3-Pyridyl)-D-alanine methyl ester?
The molecular weight of 3-(3-Pyridyl)-D-alanine methyl ester is 180.09 g/mol.
Where can I buy 3-(3-Pyridyl)-D-alanine methyl ester?
You can request a quote for 3-(3-Pyridyl)-D-alanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Pyridyl)-D-alanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Pyridyl)-D-alanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.