![1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole structure](/static/products/898/898653-46-8.png)
1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole
TL;DR: 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole (CAS 898653-46-8) is a chemical compound with molecular formula C10H8BrN7S and molecular weight 336.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrazole
Also Known As: BRD-K27215400-001-01-2, 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole, 1-(4-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrazole, 5-(((4H-1,2,4-triazol-3-yl)thio)methyl)-1-(4-bromophenyl)-1H-tetrazole
| Molecular Formula | C10H8BrN7S |
|---|---|
| Molecular Weight | 336.97 g/mol |
| LogP | 1.8352 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.97452 |
| Heavy Atoms | 19 |
| Complexity | 648.8402 |
Chemical Identifiers
| CAS Number | 898653-46-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC=NN3)Br |
Product Overview
1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole (CAS 898653-46-8), with molecular formula C10H8BrN7S and molecular weight 336.97 g/mol. IUPAC: 1-(4-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrazole.
Chemical Property Profile of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole
Property Insights of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole
The XLogP value of 1.8352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole has 1 hydrogen bond donor(s) and 6 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 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole?
The CAS number of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole is 898653-46-8.
What is the molecular formula of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole?
The molecular formula of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole is C10H8BrN7S.
What is the molecular weight of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole?
The molecular weight of 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole is 336.97 g/mol.
Where can I buy 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole?
You can request a quote for 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.