methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate
TL;DR: methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate (CAS 676563-12-5) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-3-hydroxy-3-pyridin-3-ylpropanoate
Also Known As: methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate, Methyl 3-hydroxy-3-pyridin-3-yl-propanoate, J2.103.298K, (S)-3-Hydroxy-3-(3-pyridyl)propionic acid methyl ester
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.6781 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 273.44812 |
Chemical Identifiers
| CAS Number | 676563-12-5 |
|---|---|
| SMILES | COC(=O)C[C@@H](C1=CN=CC=C1)O |
Product Overview
methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate (CAS 676563-12-5), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: methyl (3S)-3-hydroxy-3-pyridin-3-ylpropanoate.
Chemical Property Profile of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate
Property Insights of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate
The XLogP value of 0.6781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate. With a topological polar surface area (TPSA) of 59.42 Ų, methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-3-hydroxy-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-hydroxy-3-(pyridin-3-yl)propanoate?
The CAS number of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate is 676563-12-5.
What is the molecular formula of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate?
The molecular formula of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate is C9H11NO3.
What is the molecular weight of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate?
The molecular weight of methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate is 181.07 g/mol.
Where can I buy methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate?
You can request a quote for methyl (3S)-3-hydroxy-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-hydroxy-3-(pyridin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-3-hydroxy-3-(pyridin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.