N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine
TL;DR: N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine (CAS 894759-26-3) 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-[(3-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine
Also Known As: 1-allyl-N-(3-chlorobenzyl)-1H-tetrazol-5-amine, AN-465/43411426, N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine, N-[(3-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine, N-[(3-CHLOROPHENYL)METHYL]-1-(PROP-2-EN-1-YL)-1,2,3,4-TETRAZOL-5-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 | 508.06784 |
Chemical Identifiers
| CAS Number | 894759-26-3 |
|---|---|
| SMILES | C=CCN1C(=NN=N1)NCC2=CC(=CC=C2)Cl |
Product Overview
N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine (CAS 894759-26-3), with molecular formula C11H12ClN5 and molecular weight 249.08 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine.
Chemical Property Profile of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine
Property Insights of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine
The XLogP value of 2.1246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine. With a topological polar surface area (TPSA) of 55.63 Ų, N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-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 N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine?
The CAS number of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine is 894759-26-3.
What is the molecular formula of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine?
The molecular formula of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine is C11H12ClN5.
What is the molecular weight of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine?
The molecular weight of N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine is 249.08 g/mol.
Where can I buy N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine?
You can request a quote for N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-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-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorobenzyl)-1-(prop-2-en-1-yl)-1H-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.