1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
TL;DR: 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine (CAS 894712-23-3) is a chemical compound with molecular formula C13H18ClN5O and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazol-5-amine
Also Known As: 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine, AN-465/43203703, 1-butyl-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazol-5-amine, 1-butyl-N-[(5-chloro-2-methoxy-phenyl)methyl]tetrazol-5-amine, N-(1-butyl-1H-tetraazol-5-yl)-N-(5-chloro-2-methoxybenzyl)amine
| Molecular Formula | C13H18ClN5O |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.7473 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.12 |
| Heavy Atoms | 20 |
| Complexity | 557.4446 |
Chemical Identifiers
| CAS Number | 894712-23-3 |
|---|---|
| SMILES | CCCCN1C(=NN=N1)NCC2=C(C=CC(=C2)Cl)OC |
Product Overview
1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine (CAS 894712-23-3), with molecular formula C13H18ClN5O and molecular weight 295.12 g/mol. IUPAC: 1-butyl-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazol-5-amine.
Chemical Property Profile of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
Property Insights of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
The XLogP value of 2.7473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine. Following Lipinski's Rule of Five, 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine has 1 hydrogen bond donor(s) and 5 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-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine?
The CAS number of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine is 894712-23-3.
What is the molecular formula of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine?
The molecular formula of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine is C13H18ClN5O.
What is the molecular weight of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine?
The molecular weight of 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine is 295.12 g/mol.
Where can I buy 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine?
You can request a quote for 1-butyl-N-(5-chloro-2-methoxybenzyl)-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 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.