3-Methyl-2,2-diphenylbut-3-enenitrile
TL;DR: 3-Methyl-2,2-diphenylbut-3-enenitrile (CAS 7475-68-5) is a chemical compound with molecular formula C17H15N and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,2-diphenylbut-3-enenitrile
Also Known As: 3-methyl-2,2-diphenylbut-3-enenitrile
| Molecular Formula | C17H15N |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.12045 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 7475-68-5 |
|---|---|
| SMILES | CC(=C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | IMZFNOOQRGGGHG-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,2-diphenylbut-3-enenitrile (CAS 7475-68-5), with molecular formula C17H15N and molecular weight 233.12 g/mol. IUPAC: 3-methyl-2,2-diphenylbut-3-enenitrile.
Chemical Property Profile of 3-Methyl-2,2-diphenylbut-3-enenitrile
Property Insights of 3-Methyl-2,2-diphenylbut-3-enenitrile
The XLogP value of 4.5 indicates that 3-Methyl-2,2-diphenylbut-3-enenitrile 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-Methyl-2,2-diphenylbut-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,2-diphenylbut-3-enenitrile 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-Methyl-2,2-diphenylbut-3-enenitrile?
The CAS number of 3-Methyl-2,2-diphenylbut-3-enenitrile is 7475-68-5.
What is the molecular formula of 3-Methyl-2,2-diphenylbut-3-enenitrile?
The molecular formula of 3-Methyl-2,2-diphenylbut-3-enenitrile is C17H15N.
What is the molecular weight of 3-Methyl-2,2-diphenylbut-3-enenitrile?
The molecular weight of 3-Methyl-2,2-diphenylbut-3-enenitrile is 233.12 g/mol.
Where can I buy 3-Methyl-2,2-diphenylbut-3-enenitrile?
You can request a quote for 3-Methyl-2,2-diphenylbut-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,2-diphenylbut-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,2-diphenylbut-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.