(E)-2-(4-氯苯基)-3-苯基丙烯腈
TL;DR: (E)-2-(4-氯苯基)-3-苯基丙烯腈 (CAS 3695-93-0) is a chemical compound with molecular formula C15H10ClN and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-氯苯基)-3-苯基丙烯腈
2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
Also Known As: NCIOpen2_005532, NCIOpen2_005654, a-(p-chlorophenyl)cinnamonitrile, Benzal-(4'-chlor-benzyl-cyanid), alpha-(p-Chlorophenyl)cinnamonitrile
| Molecular Formula | C15H10ClN |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05017 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 3695-93-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | JJGLLZWUWIKTAG-UHFFFAOYSA-N |
Product Overview
(E)-2-(4-氯苯基)-3-苯基丙烯腈 (CAS 3695-93-0), with molecular formula C15H10ClN and molecular weight 239.05 g/mol. IUPAC: 2-(4-chlorophenyl)-3-phenylprop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-氯苯基)-3-苯基丙烯腈
Property Insights of (E)-2-(4-氯苯基)-3-苯基丙烯腈
The XLogP value of 4.3 indicates that (E)-2-(4-氯苯基)-3-苯基丙烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (E)-2-(4-氯苯基)-3-苯基丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(4-氯苯基)-3-苯基丙烯腈 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 (E)-2-(4-氯苯基)-3-苯基丙烯腈?
The CAS number of (E)-2-(4-氯苯基)-3-苯基丙烯腈 is 3695-93-0.
What is the molecular formula of (E)-2-(4-氯苯基)-3-苯基丙烯腈?
The molecular formula of (E)-2-(4-氯苯基)-3-苯基丙烯腈 is C15H10ClN.
What is the molecular weight of (E)-2-(4-氯苯基)-3-苯基丙烯腈?
The molecular weight of (E)-2-(4-氯苯基)-3-苯基丙烯腈 is 239.05 g/mol.
Where can I buy (E)-2-(4-氯苯基)-3-苯基丙烯腈?
You can request a quote for (E)-2-(4-氯苯基)-3-苯基丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-氯苯基)-3-苯基丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-氯苯基)-3-苯基丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.