4-Chloro-2,2-dimethylbutanenitrile
TL;DR: 4-Chloro-2,2-dimethylbutanenitrile (CAS 64273-86-5) is a chemical compound with molecular formula C6H10ClN and molecular weight 131.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,2-dimethylbutanenitrile
Also Known As: 4-chloro-2,2-dimethylbutanenitrile, 4-chloro-2,2-dimethylbutyronitrile, 846-473-4, RefChem:520831
| Molecular Formula | C6H10ClN |
|---|---|
| Molecular Weight | 131.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.05017 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 64273-86-5 |
|---|---|
| SMILES | CC(C)(CCCl)C#N |
| InChIKey | JEFSZASOUUCOKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,2-dimethylbutanenitrile (CAS 64273-86-5), with molecular formula C6H10ClN and molecular weight 131.05 g/mol. IUPAC: 4-chloro-2,2-dimethylbutanenitrile.
Chemical Property Profile of 4-Chloro-2,2-dimethylbutanenitrile
Property Insights of 4-Chloro-2,2-dimethylbutanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,2-dimethylbutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Chloro-2,2-dimethylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,2-dimethylbutanenitrile 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-2,2-dimethylbutanenitrile?
The CAS number of 4-Chloro-2,2-dimethylbutanenitrile is 64273-86-5.
What is the molecular formula of 4-Chloro-2,2-dimethylbutanenitrile?
The molecular formula of 4-Chloro-2,2-dimethylbutanenitrile is C6H10ClN.
What is the molecular weight of 4-Chloro-2,2-dimethylbutanenitrile?
The molecular weight of 4-Chloro-2,2-dimethylbutanenitrile is 131.05 g/mol.
Where can I buy 4-Chloro-2,2-dimethylbutanenitrile?
You can request a quote for 4-Chloro-2,2-dimethylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,2-dimethylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,2-dimethylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.