N-(4-chlorobenzyl)-1H-tetrazol-5-amine
TL;DR: N-(4-chlorobenzyl)-1H-tetrazol-5-amine (CAS 31694-96-9) is a chemical compound with molecular formula C8H8ClN5 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
Also Known As: BAS 07018616, N-(4-chlorobenzyl)-1H-tetrazol-5-amine, N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine, (4-Chloro-benzyl)-(1H-tetrazol-5-yl)-amine, N-(4-chlorobenzyl)-1,2-dihydro-5H-tetrazol-5-imine
| Molecular Formula | C8H8ClN5 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.4652 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.04683 |
| Heavy Atoms | 14 |
| Complexity | 382.62372 |
Chemical Identifiers
| CAS Number | 31694-96-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=NNN=N2)Cl |
Product Overview
N-(4-chlorobenzyl)-1H-tetrazol-5-amine (CAS 31694-96-9), with molecular formula C8H8ClN5 and molecular weight 209.05 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine.
Chemical Property Profile of N-(4-chlorobenzyl)-1H-tetrazol-5-amine
Property Insights of N-(4-chlorobenzyl)-1H-tetrazol-5-amine
The XLogP value of 1.4652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-1H-tetrazol-5-amine. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobenzyl)-1H-tetrazol-5-amine. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-1H-tetrazol-5-amine has 2 hydrogen bond donor(s) and 4 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 N-(4-chlorobenzyl)-1H-tetrazol-5-amine?
The CAS number of N-(4-chlorobenzyl)-1H-tetrazol-5-amine is 31694-96-9.
What is the molecular formula of N-(4-chlorobenzyl)-1H-tetrazol-5-amine?
The molecular formula of N-(4-chlorobenzyl)-1H-tetrazol-5-amine is C8H8ClN5.
What is the molecular weight of N-(4-chlorobenzyl)-1H-tetrazol-5-amine?
The molecular weight of N-(4-chlorobenzyl)-1H-tetrazol-5-amine is 209.05 g/mol.
Where can I buy N-(4-chlorobenzyl)-1H-tetrazol-5-amine?
You can request a quote for N-(4-chlorobenzyl)-1H-tetrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-1H-tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-1H-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.