5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 397878-17-0) is a chemical compound with molecular formula C11H12BrN3OS and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: Deaminase inhibitor-1, 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, BAS 02592442, AJ-292/11893075, 3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C11H12BrN3OS |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 2.83959 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.98846 |
| Heavy Atoms | 17 |
| Complexity | 590.64276 |
Chemical Identifiers
| CAS Number | 397878-17-0 |
|---|---|
| SMILES | CN1C(=NNC1=S)CC2=CC(=C(C=C2)OC)Br |
Product Overview
5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 397878-17-0), with molecular formula C11H12BrN3OS and molecular weight 312.99 g/mol. IUPAC: 3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.83959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 42.84 Ų, 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 397878-17-0.
What is the molecular formula of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C11H12BrN3OS.
What is the molecular weight of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 312.99 g/mol.
Where can I buy 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-4-methoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.