2-(氯甲基)-2-丙烯腈
TL;DR: 2-(氯甲基)-2-丙烯腈 (CAS 7659-44-1) is a chemical compound with molecular formula C4H4ClN and molecular weight 101.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氯甲基)-2-丙烯腈
2-(chloromethyl)prop-2-enenitrile
Also Known As: 2-(chloromethyl)prop-2-enenitrile, 2-(Chloromethyl)acrylonitrile, ACRYLONITRILE, 2-(CHLOROMETHYL)-, 2-(Chloromethyl)-2-propenenitrile, 2-Propenenitrile, 2-(chloromethyl)-
| Molecular Formula | C4H4ClN |
|---|---|
| Molecular Weight | 101.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.00323 |
| Heavy Atoms | 6 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 7659-44-1 |
|---|---|
| SMILES | C=C(CCl)C#N |
| InChIKey | QIBPJPNDSZRXRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(氯甲基)-2-丙烯腈 (CAS 7659-44-1), with molecular formula C4H4ClN and molecular weight 101.00 g/mol. IUPAC: 2-(chloromethyl)prop-2-enenitrile.
Chemical Property Profile of 2-(氯甲基)-2-丙烯腈
Property Insights of 2-(氯甲基)-2-丙烯腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氯甲基)-2-丙烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(氯甲基)-2-丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(氯甲基)-2-丙烯腈 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 2-(氯甲基)-2-丙烯腈?
The CAS number of 2-(氯甲基)-2-丙烯腈 is 7659-44-1.
What is the molecular formula of 2-(氯甲基)-2-丙烯腈?
The molecular formula of 2-(氯甲基)-2-丙烯腈 is C4H4ClN.
What is the molecular weight of 2-(氯甲基)-2-丙烯腈?
The molecular weight of 2-(氯甲基)-2-丙烯腈 is 101.00 g/mol.
Where can I buy 2-(氯甲基)-2-丙烯腈?
You can request a quote for 2-(氯甲基)-2-丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氯甲基)-2-丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(氯甲基)-2-丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.