4-Chloro-3-methylbutanenitrile
TL;DR: 4-Chloro-3-methylbutanenitrile (CAS 7659-47-4) is a chemical compound with molecular formula C5H8ClN and molecular weight 117.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methylbutanenitrile
Also Known As: 4-chloro-3-methylbutanenitrile, 4-Chloro-3-methylbutyronitrile, Butanenitrile,4-chloro-3-methyl-, EINECS 231-625-9
| Molecular Formula | C5H8ClN |
|---|---|
| Molecular Weight | 117.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.03453 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 7659-47-4 |
|---|---|
| SMILES | CC(CC#N)CCl |
| InChIKey | XRNJHVNFTYNNAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-methylbutanenitrile (CAS 7659-47-4), with molecular formula C5H8ClN and molecular weight 117.03 g/mol. IUPAC: 4-chloro-3-methylbutanenitrile.
Chemical Property Profile of 4-Chloro-3-methylbutanenitrile
Property Insights of 4-Chloro-3-methylbutanenitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methylbutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Chloro-3-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylbutanenitrile has 0 hydrogen bond donor(s) and 1 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-Chloro-3-methylbutanenitrile?
The CAS number of 4-Chloro-3-methylbutanenitrile is 7659-47-4.
What is the molecular formula of 4-Chloro-3-methylbutanenitrile?
The molecular formula of 4-Chloro-3-methylbutanenitrile is C5H8ClN.
What is the molecular weight of 4-Chloro-3-methylbutanenitrile?
The molecular weight of 4-Chloro-3-methylbutanenitrile is 117.03 g/mol.
Where can I buy 4-Chloro-3-methylbutanenitrile?
You can request a quote for 4-Chloro-3-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.