1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-
TL;DR: 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- (CAS 35028-98-9) is a chemical compound with molecular formula C10H20N4O2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-2,5-diethyl-1,2,4,5-tetrazinan-1-yl)ethanone
Also Known As: 1,4-Diacetyl-2,5-diethyl-1,2,4,5-tetraazinane, 1,4-Diacetyl-2,5-diethylhexahydro-1,2,4,5-tetrazine, 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-, 1,4-Diacetyl-2,5-diethyl-1,2,4,5-tetraazinane #, 1-(4-acetyl-2,5-diethyl-1,2,4,5-tetrazinan-1-yl)ethanone
| Molecular Formula | C10H20N4O2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.15863 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 35028-98-9 |
|---|---|
| SMILES | CCN1CN(N(CN1C(=O)C)CC)C(=O)C |
| InChIKey | KMVVUJBCRPPWRN-UHFFFAOYSA-N |
Product Overview
1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- (CAS 35028-98-9), with molecular formula C10H20N4O2 and molecular weight 228.16 g/mol. IUPAC: 1-(4-acetyl-2,5-diethyl-1,2,4,5-tetrazinan-1-yl)ethanone.
Chemical Property Profile of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-
Property Insights of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-. With a topological polar surface area (TPSA) of 47.1 Ų, 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- 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 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-?
The CAS number of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- is 35028-98-9.
What is the molecular formula of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-?
The molecular formula of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- is C10H20N4O2.
What is the molecular weight of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-?
The molecular weight of 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- is 228.16 g/mol.
Where can I buy 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-?
You can request a quote for 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetrazine, 1,4-diacetyl-2,5-diethylhexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.