![4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile structure](/static/products/3314/331461-91-7.webp)
4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile
TL;DR: 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile (CAS 331461-91-7) is a chemical compound with molecular formula C15H13BrN2 and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromo-3-methylanilino)methyl]benzonitrile
Also Known As: 4-[(4-bromo-3-methylanilino)methyl]benzenecarbonitrile, 4-[(4-bromo-3-methylanilino)methyl]benzonitrile, 4-{[(4-bromo-3-methylphenyl)amino]methyl}benzonitrile, 4-[(4-bromo-3-methyl-anilino)methyl]benzonitrile, AA-768/32247018
| Molecular Formula | C15H13BrN2 |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0262 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 331461-91-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)C#N)Br |
| InChIKey | CXKQZVMOLDHJFP-UHFFFAOYSA-N |
Product Overview
4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile (CAS 331461-91-7), with molecular formula C15H13BrN2 and molecular weight 300.03 g/mol. IUPAC: 4-[(4-bromo-3-methylanilino)methyl]benzonitrile.
Chemical Property Profile of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile
Property Insights of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile
The XLogP value of 4.2 indicates that 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile 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-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile?
The CAS number of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile is 331461-91-7.
What is the molecular formula of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile?
The molecular formula of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile is C15H13BrN2.
What is the molecular weight of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile?
The molecular weight of 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile is 300.03 g/mol.
Where can I buy 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile?
You can request a quote for 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Bromo-3-methylanilino)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.