4-Anilino-3-methylbenzonitrile
TL;DR: 4-Anilino-3-methylbenzonitrile (CAS 36602-03-6) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-methylbenzonitrile
Also Known As: 4-anilino-3-methyl-benzonitrile, 3-methyl-4-(phenylamino)benzonitrile
| Molecular Formula | C14H12N2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 3.6103 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10005 |
| Heavy Atoms | 16 |
| Complexity | 524.17676 |
Chemical Identifiers
| CAS Number | 36602-03-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C#N)NC2=CC=CC=C2 |
Product Overview
4-Anilino-3-methylbenzonitrile (CAS 36602-03-6), with molecular formula C14H12N2 and molecular weight 208.10 g/mol. IUPAC: 4-anilino-3-methylbenzonitrile.
Chemical Property Profile of 4-Anilino-3-methylbenzonitrile
Property Insights of 4-Anilino-3-methylbenzonitrile
The XLogP value of 3.6103 indicates that 4-Anilino-3-methylbenzonitrile 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-Anilino-3-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-3-methylbenzonitrile 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-Anilino-3-methylbenzonitrile?
The CAS number of 4-Anilino-3-methylbenzonitrile is 36602-03-6.
What is the molecular formula of 4-Anilino-3-methylbenzonitrile?
The molecular formula of 4-Anilino-3-methylbenzonitrile is C14H12N2.
What is the molecular weight of 4-Anilino-3-methylbenzonitrile?
The molecular weight of 4-Anilino-3-methylbenzonitrile is 208.10 g/mol.
Where can I buy 4-Anilino-3-methylbenzonitrile?
You can request a quote for 4-Anilino-3-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-3-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-3-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.