Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate
TL;DR: Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate (CAS 198959-53-4) 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 (3S)-3-amino-3-pyridin-3-ylpropanoate
Also Known As: methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate, methyl (3S)-3-amino-3-pyridin-3-ylpropanoate, Methyl 3-amino-3-pyridin-3-yl-propanoate, J1.185.706J, methyl(3s)-3-amino-3-(pyridin-3-yl)propanoate
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.6445 |
| 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 | 198959-53-4 |
|---|---|
| SMILES | COC(=O)C[C@@H](C1=CN=CC=C1)N |
Product Overview
Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate (CAS 198959-53-4), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: methyl (3S)-3-amino-3-pyridin-3-ylpropanoate.
Chemical Property Profile of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate
Property Insights of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate
The XLogP value of 0.6445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate 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 Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate?
The CAS number of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate is 198959-53-4.
What is the molecular formula of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate?
The molecular formula of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate is C9H12N2O2.
What is the molecular weight of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate?
The molecular weight of Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate is 180.09 g/mol.
Where can I buy Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate?
You can request a quote for Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3s)-3-amino-3-(pyridin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.