3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile
TL;DR: 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile (CAS 56741-22-1) is a chemical compound with molecular formula C20H21N and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(4-pentylphenyl)phenyl]prop-2-enenitrile
Also Known As: Isobutyl-N-phenyl-thiocarbamat, 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile, BAS 00129880, 3-[4-(4-pentylphenyl)phenyl]prop-2-enenitrile, (2E)-3-(4'-pentylbiphenyl-4-yl)prop-2-enenitrile
| Molecular Formula | C20H21N |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 5.62308 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.1674 |
| Heavy Atoms | 21 |
| Complexity | 612.3831 |
Chemical Identifiers
| CAS Number | 56741-22-1 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C#N |
Product Overview
3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile (CAS 56741-22-1), with molecular formula C20H21N and molecular weight 275.17 g/mol. IUPAC: (E)-3-[4-(4-pentylphenyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile
Property Insights of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile
The XLogP value of 5.62308 indicates that 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile?
The CAS number of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile is 56741-22-1.
What is the molecular formula of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile?
The molecular formula of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile is C20H21N.
What is the molecular weight of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile?
The molecular weight of 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile is 275.17 g/mol.
Where can I buy 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile?
You can request a quote for 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4'-Pentyl-biphenyl-4-yl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.