4-氯-3-羟基丁腈
TL;DR: 4-氯-3-羟基丁腈 (CAS 105-33-9) 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.
4-氯-3-羟基丁腈
4-chloro-3-hydroxybutanenitrile
Also Known As: 4-chloro-3-hydroxybutanenitrile, 4-Chloro-3-hydroxybutyronitrile, 4-Chloro-3-hydroxy butyronitrile, (S)-4-Chloro-3-hydroxybutyronitrile, Butanenitrile, 4-chloro-3-hydroxy-
| Molecular Formula | C4H6ClNO |
|---|---|
| Molecular Weight | 119.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.013794 |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 105-33-9 |
|---|---|
| SMILES | C(C#N)C(CCl)O |
| InChIKey | LHBPNZDUNCZWFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-羟基丁腈 (CAS 105-33-9), with molecular formula C4H6ClNO and molecular weight 119.01 g/mol. IUPAC: 4-chloro-3-hydroxybutanenitrile.
Chemical Property Profile of 4-氯-3-羟基丁腈
Property Insights of 4-氯-3-羟基丁腈
The XLogP value of -0.1 indicates that 4-氯-3-羟基丁腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, 4-氯-3-羟基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-3-羟基丁腈 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 4-氯-3-羟基丁腈?
The CAS number of 4-氯-3-羟基丁腈 is 105-33-9.
What is the molecular formula of 4-氯-3-羟基丁腈?
The molecular formula of 4-氯-3-羟基丁腈 is C4H6ClNO.
What is the molecular weight of 4-氯-3-羟基丁腈?
The molecular weight of 4-氯-3-羟基丁腈 is 119.01 g/mol.
Where can I buy 4-氯-3-羟基丁腈?
You can request a quote for 4-氯-3-羟基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3-羟基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-羟基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.