2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
TL;DR: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one (CAS 74809-00-0) is a chemical compound with molecular formula C10H14N4O and molecular weight 206.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
Also Known As: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one, J3.048.518A, 2,4-Dimethyl-6-phenylhexahydro-1,2,4,5-tetrazine-3-one, RefChem:357341
| Molecular Formula | C10H14N4O |
|---|---|
| Molecular Weight | 206.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.11676 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 74809-00-0 |
|---|---|
| SMILES | CN1C(=O)N(NC(N1)C2=CC=CC=C2)C |
| InChIKey | DLBKJGAAXYOKMT-UHFFFAOYSA-N |
Product Overview
2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one (CAS 74809-00-0), with molecular formula C10H14N4O and molecular weight 206.12 g/mol. IUPAC: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one.
Chemical Property Profile of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
Property Insights of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one. With a topological polar surface area (TPSA) of 47.6 Ų, 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one has 2 hydrogen bond donor(s) and 3 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 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The CAS number of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one is 74809-00-0.
What is the molecular formula of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The molecular formula of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one is C10H14N4O.
What is the molecular weight of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The molecular weight of 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one is 206.12 g/mol.
Where can I buy 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
You can request a quote for 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.