氯代异丁腈
TL;DR: 氯代异丁腈 (CAS 3331-60-0) is a chemical compound with molecular formula C4H6ClN and molecular weight 103.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯代异丁腈
2-chloro-2-methylpropanenitrile
Also Known As: 2-chloro-2-methylpropanenitrile, 2-Chloro-2-methylpropiononitrile, chloroisobutyronitrile, 2-Chloroisobutyronitrile, 2-chloro-2-methylpropionitrile
| Molecular Formula | C4H6ClN |
|---|---|
| Molecular Weight | 103.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.018875 |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 3331-60-0 |
|---|---|
| SMILES | CC(C)(C#N)Cl |
| InChIKey | AMAFFZUDKROYAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯代异丁腈 (CAS 3331-60-0), with molecular formula C4H6ClN and molecular weight 103.02 g/mol. IUPAC: 2-chloro-2-methylpropanenitrile.
Chemical Property Profile of 氯代异丁腈
Property Insights of 氯代异丁腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯代异丁腈. With a topological polar surface area (TPSA) of 23.8 Ų, 氯代异丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯代异丁腈 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 氯代异丁腈?
The CAS number of 氯代异丁腈 is 3331-60-0.
What is the molecular formula of 氯代异丁腈?
The molecular formula of 氯代异丁腈 is C4H6ClN.
What is the molecular weight of 氯代异丁腈?
The molecular weight of 氯代异丁腈 is 103.02 g/mol.
Where can I buy 氯代异丁腈?
You can request a quote for 氯代异丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯代异丁腈?
Yes, KEHONG BIO provides custom synthesis services for 氯代异丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.