3-Chloro-2-hydroxypropanenitrile
TL;DR: 3-Chloro-2-hydroxypropanenitrile (CAS 33965-80-9) is a chemical compound with molecular formula C3H4ClNO and molecular weight 105.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-hydroxypropanenitrile
Also Known As: 3-Chlorolactonitrile, 3-chloro-2-hydroxypropanenitrile, beta-Chlorolactonitrile, Lactonitrile, 3-chloro-, Lactonitrile, beta-chloro-
| Molecular Formula | C3H4ClNO |
|---|---|
| Molecular Weight | 105.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.99814 |
| Heavy Atoms | 6 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 33965-80-9 |
|---|---|
| SMILES | C(C(C#N)O)Cl |
| InChIKey | RDXMEUDCEWSFDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-hydroxypropanenitrile (CAS 33965-80-9), with molecular formula C3H4ClNO and molecular weight 105.00 g/mol. IUPAC: 3-chloro-2-hydroxypropanenitrile.
Chemical Property Profile of 3-Chloro-2-hydroxypropanenitrile
Property Insights of 3-Chloro-2-hydroxypropanenitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-hydroxypropanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Chloro-2-hydroxypropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-hydroxypropanenitrile 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 3-Chloro-2-hydroxypropanenitrile?
The CAS number of 3-Chloro-2-hydroxypropanenitrile is 33965-80-9.
What is the molecular formula of 3-Chloro-2-hydroxypropanenitrile?
The molecular formula of 3-Chloro-2-hydroxypropanenitrile is C3H4ClNO.
What is the molecular weight of 3-Chloro-2-hydroxypropanenitrile?
The molecular weight of 3-Chloro-2-hydroxypropanenitrile is 105.00 g/mol.
Where can I buy 3-Chloro-2-hydroxypropanenitrile?
You can request a quote for 3-Chloro-2-hydroxypropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-hydroxypropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-hydroxypropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.