N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
TL;DR: N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine (CAS 78113-92-5) is a chemical compound with molecular formula C12H15N5 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
Also Known As: N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
| Molecular Formula | C12H15N5 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.13275 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 78113-92-5 |
|---|---|
| SMILES | CCCCNC1=NN=C(N=N1)C2=CC=CC=C2 |
| InChIKey | GXTZAQZNBWMBFN-UHFFFAOYSA-N |
Product Overview
N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine (CAS 78113-92-5), with molecular formula C12H15N5 and molecular weight 229.13 g/mol. IUPAC: N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine.
Chemical Property Profile of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
Property Insights of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine. Following Lipinski's Rule of Five, N-butyl-6-phenyl-1,2,4,5-tetrazin-3-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 N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine?
The CAS number of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine is 78113-92-5.
What is the molecular formula of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine?
The molecular formula of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine is C12H15N5.
What is the molecular weight of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine?
The molecular weight of N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine is 229.13 g/mol.
Where can I buy N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine?
You can request a quote for N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.