5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole
TL;DR: 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole (CAS 37468-44-3) is a chemical compound with molecular formula C9H9ClN4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1-(4-methylphenyl)tetrazole
Also Known As: 5-(chloromethyl)-1-(p-tolyl)-1H-tetrazole, 5-Chlormethyl-1-butyl-tetrazol, 5-(chloromethyl)-1-(4-methylphenyl)tetrazole, 5-Chloromethyl-1-p-tolyl-1H-tetrazole, ASN 01541730
| Molecular Formula | C9H9ClN4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.70952 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.05157 |
| Heavy Atoms | 14 |
| Complexity | 420.63193 |
Chemical Identifiers
| CAS Number | 37468-44-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)CCl |
Product Overview
5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole (CAS 37468-44-3), with molecular formula C9H9ClN4 and molecular weight 208.05 g/mol. IUPAC: 5-(chloromethyl)-1-(4-methylphenyl)tetrazole.
Chemical Property Profile of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole
Property Insights of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole
The XLogP value of 1.70952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole has 0 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-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole?
The CAS number of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole is 37468-44-3.
What is the molecular formula of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole?
The molecular formula of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole is C9H9ClN4.
What is the molecular weight of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole?
The molecular weight of 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole is 208.05 g/mol.
Where can I buy 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole?
You can request a quote for 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.