N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine (CAS 880865-61-2) is a chemical compound with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-butyltetrazol-5-amine
Also Known As: AN-465/42886097, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine, N-(1,3-benzodioxol-5-ylmethyl)-1-butyltetrazol-5-amine, N-(benzo[1,3]dioxol-5-ylmethyl)-1-butyl-tetrazol-5-amine, N-(1,3-benzodioxol-5-ylmethyl)-N-(1-butyl-1H-tetraazol-5-yl)amine
| Molecular Formula | C13H17N5O2 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 1.814 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.1382 |
| Heavy Atoms | 20 |
| Complexity | 583.89056 |
Chemical Identifiers
| CAS Number | 880865-61-2 |
|---|---|
| SMILES | CCCCN1C(=NN=N1)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine (CAS 880865-61-2), with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-butyltetrazol-5-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine
The XLogP value of 1.814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine is 880865-61-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine is C13H17N5O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine is 275.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-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-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.