1-butyl-5-(chloromethyl)-1H-tetrazole
TL;DR: 1-butyl-5-(chloromethyl)-1H-tetrazole (CAS 37468-43-2) is a chemical compound with molecular formula C6H11ClN4 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-(chloromethyl)tetrazole
Also Known As: 1-butyl-5-(chloromethyl)-1H-tetrazole, 1-butyl-5-(chloromethyl)tetrazole, 1-butyl-5-(chloromethyl)-1H-1,2,3,4-tetrazole, 5-Chlormethyl-1-butyl-tetrazol, 2-nitro-4-Pyridinecarboxylic acid
| Molecular Formula | C6H11ClN4 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.212 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.06723 |
| Heavy Atoms | 11 |
| Complexity | 210.10213 |
Chemical Identifiers
| CAS Number | 37468-43-2 |
|---|---|
| SMILES | CCCCN1C(=NN=N1)CCl |
Product Overview
1-butyl-5-(chloromethyl)-1H-tetrazole (CAS 37468-43-2), with molecular formula C6H11ClN4 and molecular weight 174.07 g/mol. IUPAC: 1-butyl-5-(chloromethyl)tetrazole.
Chemical Property Profile of 1-butyl-5-(chloromethyl)-1H-tetrazole
Property Insights of 1-butyl-5-(chloromethyl)-1H-tetrazole
The XLogP value of 1.212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-5-(chloromethyl)-1H-tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 1-butyl-5-(chloromethyl)-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-5-(chloromethyl)-1H-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 1-butyl-5-(chloromethyl)-1H-tetrazole?
The CAS number of 1-butyl-5-(chloromethyl)-1H-tetrazole is 37468-43-2.
What is the molecular formula of 1-butyl-5-(chloromethyl)-1H-tetrazole?
The molecular formula of 1-butyl-5-(chloromethyl)-1H-tetrazole is C6H11ClN4.
What is the molecular weight of 1-butyl-5-(chloromethyl)-1H-tetrazole?
The molecular weight of 1-butyl-5-(chloromethyl)-1H-tetrazole is 174.07 g/mol.
Where can I buy 1-butyl-5-(chloromethyl)-1H-tetrazole?
You can request a quote for 1-butyl-5-(chloromethyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-5-(chloromethyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-(chloromethyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.