2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile
TL;DR: 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile (CAS 18161-00-7) is a chemical compound with molecular formula C12H7ClN2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-3-phenylprop-2-enylidene)propanedinitrile
Also Known As: 2-(3-chloro-3-phenylprop-2-enylidene)malononitrile, 2-(3-chloro-3-phenylprop-2-enylidene)propanedinitrile, (3-Chloro-3-phenylprop-2-en-1-ylidene)propanedinitrile, Propanedinitrile, (3-chloro-3-phenyl-2-propenylidene)-, Propanedinitrile, 2-(3-chloro-3-phenyl-2-propen-1-ylidene)-
| Molecular Formula | C12H7ClN2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.02977 |
| Heavy Atoms | 15 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 18161-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC=C(C#N)C#N)Cl |
| InChIKey | AMXZIDAMUMHHPB-UHFFFAOYSA-N |
Product Overview
2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile (CAS 18161-00-7), with molecular formula C12H7ClN2 and molecular weight 214.03 g/mol. IUPAC: 2-(3-chloro-3-phenylprop-2-enylidene)propanedinitrile.
Chemical Property Profile of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile
Property Insights of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile
The XLogP value of 3.1 indicates that 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile has 0 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 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile?
The CAS number of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile is 18161-00-7.
What is the molecular formula of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile?
The molecular formula of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile is C12H7ClN2.
What is the molecular weight of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile?
The molecular weight of 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile is 214.03 g/mol.
Where can I buy 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile?
You can request a quote for 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-3-phenylprop-2-enylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.