5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
TL;DR: 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile (CAS 328281-85-2) is a chemical compound with molecular formula C9H5BrN4 and molecular weight 247.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
Also Known As: 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile, 1H-1,2,4-Triazole-5-carbonitrile, 3-(3-bromophenyl)-, 5-(3-Bromophenyl)-1 H -1,2,4-triazole-3-carbonitrile
| Molecular Formula | C9H5BrN4 |
|---|---|
| Molecular Weight | 247.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.96976 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 328281-85-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NC(=NN2)C#N |
| InChIKey | QELMUXYSPFQBAE-UHFFFAOYSA-N |
Product Overview
5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile (CAS 328281-85-2), with molecular formula C9H5BrN4 and molecular weight 247.97 g/mol. IUPAC: 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile.
Chemical Property Profile of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
Property Insights of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile. Following Lipinski's Rule of Five, 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The CAS number of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile is 328281-85-2.
What is the molecular formula of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The molecular formula of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile is C9H5BrN4.
What is the molecular weight of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The molecular weight of 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile is 247.97 g/mol.
Where can I buy 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile?
You can request a quote for 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.