(3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile
TL;DR: (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile (CAS 676563-19-2) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile
Also Known As: (3S)-3-hydroxy-3-pyridin-4-yl-propanenitrile, 4-Pyridinepropanenitrile, beta-hydroxy-, (betaS)- (9CI)
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.02868 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 252.54462 |
Chemical Identifiers
| CAS Number | 676563-19-2 |
|---|---|
| SMILES | C1=CN=CC=C1[C@H](CC#N)O |
Product Overview
(3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile (CAS 676563-19-2), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile.
Chemical Property Profile of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile
Property Insights of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile
The XLogP value of 1.02868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile. With a topological polar surface area (TPSA) of 56.91 Ų, (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile has 1 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 (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile?
The CAS number of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile is 676563-19-2.
What is the molecular formula of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile?
The molecular formula of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile is C8H8N2O.
What is the molecular weight of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile?
The molecular weight of (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile is 148.06 g/mol.
Where can I buy (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile?
You can request a quote for (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-hydroxy-3-pyridin-4-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.