(4-Cyanophenyl)methyl
TL;DR: (4-Cyanophenyl)methyl (CAS 4939-73-5) is a chemical compound with molecular formula C8H6N and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: p-cyanobenzyl, 4-Cyanobenzyl, 4-Cyanobenzyl radical, (4-cyanophenyl)methyl, 4-METHYLBENZONITRILE
| Molecular Formula | C8H6N |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 1.74047 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.050026 |
| Heavy Atoms | 9 |
| Complexity | 227.7397 |
Chemical Identifiers
| CAS Number | 4939-73-5 |
|---|---|
| SMILES | [CH2]C1=CC=C(C=C1)C#N |
Product Overview
(4-Cyanophenyl)methyl (CAS 4939-73-5), with molecular formula C8H6N and molecular weight 116.05 g/mol.
Chemical Property Profile of (4-Cyanophenyl)methyl
Property Insights of (4-Cyanophenyl)methyl
The XLogP value of 1.74047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanophenyl)methyl. With a topological polar surface area (TPSA) of 23.79 Ų, (4-Cyanophenyl)methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl 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 (4-Cyanophenyl)methyl?
The CAS number of (4-Cyanophenyl)methyl is 4939-73-5.
What is the molecular formula of (4-Cyanophenyl)methyl?
The molecular formula of (4-Cyanophenyl)methyl is C8H6N.
What is the molecular weight of (4-Cyanophenyl)methyl?
The molecular weight of (4-Cyanophenyl)methyl is 116.05 g/mol.
Where can I buy (4-Cyanophenyl)methyl?
You can request a quote for (4-Cyanophenyl)methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl)methyl?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.