N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine (CAS 162961-18-4) is a chemical compound with molecular formula C9H9N5O2 and molecular weight 219.07562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine, BAS 07018619, N-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazol-5-amine, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-1H-tetrazol-5-amine, N-(1,3-benzodioxol-5-ylmethyl)-1H-tetraazol-5-amine
Technical Specifications
| Molecular Formula | C9H9N5O2 |
| Molecular Weight | 219.07562 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.07562 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NNN=N3 |
| InChIKey | YZJIESMEYKYJOY-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine is 162961-18-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine is C9H9N5O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine is 219.07562 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2H-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.