3,3-Diphenylacrylonitrile
TL;DR: 3,3-Diphenylacrylonitrile (CAS 3531-24-6) is a chemical compound with molecular formula C15H11N and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diphenylprop-2-enenitrile
Also Known As: 3,3-Diphenylacrylonitrile, B-PHENYLCINNAMONITRILE, 3,3-diphenylprop-2-enenitrile, 3-Phenylcinnamonitrile, beta-Phenylcinnamonitrile
| Molecular Formula | C15H11N |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08914 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3531-24-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC#N)C2=CC=CC=C2 |
| InChIKey | RDGWQFSLTSPRBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Diphenylacrylonitrile (CAS 3531-24-6), with molecular formula C15H11N and molecular weight 205.09 g/mol. IUPAC: 3,3-diphenylprop-2-enenitrile.
Chemical Property Profile of 3,3-Diphenylacrylonitrile
Property Insights of 3,3-Diphenylacrylonitrile
The XLogP value of 4.0 indicates that 3,3-Diphenylacrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3,3-Diphenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diphenylacrylonitrile 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 3,3-Diphenylacrylonitrile?
The CAS number of 3,3-Diphenylacrylonitrile is 3531-24-6.
What is the molecular formula of 3,3-Diphenylacrylonitrile?
The molecular formula of 3,3-Diphenylacrylonitrile is C15H11N.
What is the molecular weight of 3,3-Diphenylacrylonitrile?
The molecular weight of 3,3-Diphenylacrylonitrile is 205.09 g/mol.
Where can I buy 3,3-Diphenylacrylonitrile?
You can request a quote for 3,3-Diphenylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diphenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diphenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.