1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine
TL;DR: 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine (CAS 878424-31-8) is a chemical compound with molecular formula C11H12ClN5 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine
Also Known As: 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine, BAS 13155464, AN-465/43369585, N-[(4-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine, (1-Allyl-1H-tetrazol-5-yl)-(4-chloro-benzyl)-amine
| Molecular Formula | C11H12ClN5 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.1246 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.07812 |
| Heavy Atoms | 17 |
| Complexity | 490.81784 |
Chemical Identifiers
| CAS Number | 878424-31-8 |
|---|---|
| SMILES | C=CCN1C(=NN=N1)NCC2=CC=C(C=C2)Cl |
Product Overview
1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine (CAS 878424-31-8), with molecular formula C11H12ClN5 and molecular weight 249.08 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine.
Chemical Property Profile of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine
Property Insights of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine
The XLogP value of 2.1246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine. With a topological polar surface area (TPSA) of 55.63 Ų, 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine has 1 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 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine?
The CAS number of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine is 878424-31-8.
What is the molecular formula of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine?
The molecular formula of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine is C11H12ClN5.
What is the molecular weight of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine?
The molecular weight of 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine is 249.08 g/mol.
Where can I buy 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine?
You can request a quote for 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-N-(4-chlorobenzyl)-1H-tetraazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.