1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
TL;DR: 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole (CAS 70380-30-2) is a chemical compound with molecular formula C10H10BrN3 and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(bromomethyl)triazole
Also Known As: 1-benzyl-4-(bromomethyl)triazole, 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole, 1-benzyl-4-bromomethyl triazole, 1-benzyl-4-(bromomethyl)-1,2,3-triazole, 4-(bromomethyl)-1-(phenylmethyl)-1H-1,2,3-triazole
| Molecular Formula | C10H10BrN3 |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.00581 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 70380-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)CBr |
| InChIKey | MAHBEDRCUGQEHK-UHFFFAOYSA-N |
Product Overview
1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole (CAS 70380-30-2), with molecular formula C10H10BrN3 and molecular weight 251.01 g/mol. IUPAC: 1-benzyl-4-(bromomethyl)triazole.
Chemical Property Profile of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
Property Insights of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole has 0 hydrogen bond donor(s) and 2 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-benzyl-4-(bromomethyl)-1H-1,2,3-triazole?
The CAS number of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole is 70380-30-2.
What is the molecular formula of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole?
The molecular formula of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole is C10H10BrN3.
What is the molecular weight of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole?
The molecular weight of 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole is 251.01 g/mol.
Where can I buy 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole?
You can request a quote for 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.