N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine
TL;DR: N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine (CAS 894756-92-4) is a chemical compound with molecular formula C9H10N6O2 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(1,3-benzodioxol-5-ylmethyl)tetrazole-1,5-diamine
Also Known As: N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine, N-(5-amino-1H-tetraazol-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)amine, 1-N-(1,3-benzodioxol-5-ylmethyl)tetrazole-1,5-diamine, AN-465/43411400, N1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-1,2,3,4-TETRAZOLE-1,5-DIAMINE
| Molecular Formula | C9H10N6O2 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | -0.2723 |
| Topological Polar Surface Area | 100.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.08652 |
| Heavy Atoms | 17 |
| Complexity | 540.0324 |
Chemical Identifiers
| CAS Number | 894756-92-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNN3C(=NN=N3)N |
Product Overview
N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine (CAS 894756-92-4), with molecular formula C9H10N6O2 and molecular weight 234.09 g/mol. IUPAC: 1-N-(1,3-benzodioxol-5-ylmethyl)tetrazole-1,5-diamine.
Chemical Property Profile of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine
Property Insights of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine
The XLogP value of -0.2723 indicates that N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine. Following Lipinski's Rule of Five, N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine has 2 hydrogen bond donor(s) and 7 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~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine?
The CAS number of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine is 894756-92-4.
What is the molecular formula of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine?
The molecular formula of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine is C9H10N6O2.
What is the molecular weight of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine?
The molecular weight of N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine is 234.09 g/mol.
Where can I buy N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine?
You can request a quote for N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazole-1,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.