1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
TL;DR: 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine (CAS 51808-03-8) is a chemical compound with molecular formula C16H18N4S and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
Also Known As: 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine, 1-Methyl-6-(methylsulfanyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
| Molecular Formula | C16H18N4S |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1252 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 51808-03-8 |
|---|---|
| SMILES | CN1C(=NN(CN1C2=CC=CC=C2)C3=CC=CC=C3)SC |
| InChIKey | URGJVCWANUHTCB-UHFFFAOYSA-N |
Product Overview
1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine (CAS 51808-03-8), with molecular formula C16H18N4S and molecular weight 298.13 g/mol. IUPAC: 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine.
Chemical Property Profile of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
Property Insights of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
The XLogP value of 4.6 indicates that 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine has 0 hydrogen bond donor(s) and 4 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-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine?
The CAS number of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine is 51808-03-8.
What is the molecular formula of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine?
The molecular formula of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine is C16H18N4S.
What is the molecular weight of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine?
The molecular weight of 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine is 298.13 g/mol.
Where can I buy 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine?
You can request a quote for 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.