5-(3-chlorobenzyl)-2H-tetrazole
TL;DR: 5-(3-chlorobenzyl)-2H-tetrazole (CAS 728024-40-6) is a chemical compound with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methyl]-2H-tetrazole
Also Known As: 5-(3-chlorobenzyl)-2H-tetrazole, 5-(3-Chloro-benzyl)-2H-tetrazole, 5-[(3-chlorophenyl)methyl]-2H-tetrazole, 5-(3-chlorobenzyl)-1H-tetrazole, ZERO/005385
| Molecular Formula | C8H7ClN4 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.4439 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03592 |
| Heavy Atoms | 13 |
| Complexity | 384.80237 |
Chemical Identifiers
| CAS Number | 728024-40-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CC2=NNN=N2 |
Product Overview
5-(3-chlorobenzyl)-2H-tetrazole (CAS 728024-40-6), with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol. IUPAC: 5-[(3-chlorophenyl)methyl]-2H-tetrazole.
Chemical Property Profile of 5-(3-chlorobenzyl)-2H-tetrazole
Property Insights of 5-(3-chlorobenzyl)-2H-tetrazole
The XLogP value of 1.4439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-chlorobenzyl)-2H-tetrazole. With a topological polar surface area (TPSA) of 54.46 Ų, 5-(3-chlorobenzyl)-2H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-chlorobenzyl)-2H-tetrazole 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-chlorobenzyl)-2H-tetrazole?
The CAS number of 5-(3-chlorobenzyl)-2H-tetrazole is 728024-40-6.
What is the molecular formula of 5-(3-chlorobenzyl)-2H-tetrazole?
The molecular formula of 5-(3-chlorobenzyl)-2H-tetrazole is C8H7ClN4.
What is the molecular weight of 5-(3-chlorobenzyl)-2H-tetrazole?
The molecular weight of 5-(3-chlorobenzyl)-2H-tetrazole is 194.04 g/mol.
Where can I buy 5-(3-chlorobenzyl)-2H-tetrazole?
You can request a quote for 5-(3-chlorobenzyl)-2H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-chlorobenzyl)-2H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chlorobenzyl)-2H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.