![4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile structure](/static/products/1488/148869-15-2.webp)
4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
TL;DR: 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile (CAS 148869-15-2) is a chemical compound with molecular formula C16H12BrN5 and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Also Known As: YM 511, YM511 (pharmaceutical), YM511, YM 511 (PHARMACEUTICAL), YM-511;
| Molecular Formula | C16H12BrN5 |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.02762 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 148869-15-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Br |
| InChIKey | GGPPBTSXFROGAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile (CAS 148869-15-2), with molecular formula C16H12BrN5 and molecular weight 353.03 g/mol. IUPAC: 4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile.
Chemical Property Profile of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Property Insights of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
The XLogP value of 3.4 indicates that 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile has 0 hydrogen bond donor(s) and 4 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-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile?
The CAS number of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile is 148869-15-2.
What is the molecular formula of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile?
The molecular formula of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile is C16H12BrN5.
What is the molecular weight of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile?
The molecular weight of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile is 353.03 g/mol.
Where can I buy 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile?
You can request a quote for 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.