(3S)-4-chloro-3-hydroxybutanenitrile
TL;DR: (3S)-4-chloro-3-hydroxybutanenitrile (CAS 84367-31-7) is a chemical compound with molecular formula C4H6ClNO and molecular weight 119.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-chloro-3-hydroxybutanenitrile
Also Known As: (S)-4-Chloro-3-hydroxybutyronitrile, (3S)-4-chloro-3-hydroxybutanenitrile, Levocarnitine Impurity 13, (s)-4-chloro-3-hydroxybutanenitrile, (s)-4-chloro-3-hydro
| Molecular Formula | C4H6ClNO |
|---|---|
| Molecular Weight | 119.01 g/mol |
| LogP | 0.49978 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.013794 |
| Heavy Atoms | 7 |
| Complexity | 78.24921 |
Chemical Identifiers
| CAS Number | 84367-31-7 |
|---|---|
| SMILES | C(C#N)[C@@H](CCl)O |
Product Overview
(3S)-4-chloro-3-hydroxybutanenitrile (CAS 84367-31-7), with molecular formula C4H6ClNO and molecular weight 119.01 g/mol. IUPAC: (3S)-4-chloro-3-hydroxybutanenitrile.
Chemical Property Profile of (3S)-4-chloro-3-hydroxybutanenitrile
Property Insights of (3S)-4-chloro-3-hydroxybutanenitrile
The XLogP value of 0.49978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4-chloro-3-hydroxybutanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, (3S)-4-chloro-3-hydroxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-4-chloro-3-hydroxybutanenitrile has 1 hydrogen bond donor(s) and 2 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)-4-chloro-3-hydroxybutanenitrile?
The CAS number of (3S)-4-chloro-3-hydroxybutanenitrile is 84367-31-7.
What is the molecular formula of (3S)-4-chloro-3-hydroxybutanenitrile?
The molecular formula of (3S)-4-chloro-3-hydroxybutanenitrile is C4H6ClNO.
What is the molecular weight of (3S)-4-chloro-3-hydroxybutanenitrile?
The molecular weight of (3S)-4-chloro-3-hydroxybutanenitrile is 119.01 g/mol.
Where can I buy (3S)-4-chloro-3-hydroxybutanenitrile?
You can request a quote for (3S)-4-chloro-3-hydroxybutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-chloro-3-hydroxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-chloro-3-hydroxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.