4-Phenylamino-benzonitrile
TL;DR: 4-Phenylamino-benzonitrile (CAS 36602-01-4) is a chemical compound with molecular formula C13H10N2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilinobenzonitrile
Also Known As: 4-(PHENYLAMINO)BENZONITRILE, 4-anilinobenzonitrile, 4-PHENYLAMINO-BENZONITRILE, 4-cyanodiphenylamine, 4-cyanophenylphenylamine
| Molecular Formula | C13H10N2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 3.30188 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0844 |
| Heavy Atoms | 15 |
| Complexity | 466.1392 |
Chemical Identifiers
| CAS Number | 36602-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)C#N |
Product Overview
4-Phenylamino-benzonitrile (CAS 36602-01-4), with molecular formula C13H10N2 and molecular weight 194.08 g/mol. IUPAC: 4-anilinobenzonitrile.
Chemical Property Profile of 4-Phenylamino-benzonitrile
Property Insights of 4-Phenylamino-benzonitrile
The XLogP value of 3.30188 indicates that 4-Phenylamino-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 4-Phenylamino-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylamino-benzonitrile has 1 hydrogen bond donor(s) and 2 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-Phenylamino-benzonitrile?
The CAS number of 4-Phenylamino-benzonitrile is 36602-01-4.
What is the molecular formula of 4-Phenylamino-benzonitrile?
The molecular formula of 4-Phenylamino-benzonitrile is C13H10N2.
What is the molecular weight of 4-Phenylamino-benzonitrile?
The molecular weight of 4-Phenylamino-benzonitrile is 194.08 g/mol.
Where can I buy 4-Phenylamino-benzonitrile?
You can request a quote for 4-Phenylamino-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylamino-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylamino-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.