4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole
TL;DR: 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole (CAS 537674-89-8) is a chemical compound with molecular formula C16H13BrN6O3S and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]phenyl] sulfamate
Also Known As: 1xq0, YM511 Analog 5, JMC503540 Compound 5, dual aromatase-sulfatase inhibitor 7, 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
| Molecular Formula | C16H13BrN6O3S |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 1.96448 |
| Topological Polar Surface Area | 127.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.99533 |
| Heavy Atoms | 27 |
| Complexity | 1078.3435 |
Chemical Identifiers
| CAS Number | 537674-89-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)OS(=O)(=O)N)Br)N3C=NN=C3 |
Product Overview
4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole (CAS 537674-89-8), with molecular formula C16H13BrN6O3S and molecular weight 448.00 g/mol. IUPAC: [2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]phenyl] sulfamate.
Chemical Property Profile of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole
Property Insights of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole
The XLogP value of 1.96448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole. The TPSA of 127.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole. Following Lipinski's Rule of Five, 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole has 1 hydrogen bond donor(s) and 7 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-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole?
The CAS number of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole is 537674-89-8.
What is the molecular formula of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole?
The molecular formula of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole is C16H13BrN6O3S.
What is the molecular weight of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole?
The molecular weight of 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole is 448.00 g/mol.
Where can I buy 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole?
You can request a quote for 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino)-4H-(1,2,4)-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.