Hexazinone (Metab A)
TL;DR: Hexazinone (Metab A) (CAS 72576-13-7) is a chemical compound with molecular formula C12H20N4O3 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)-3-(4-hydroxycyclohexyl)-1-methyl-1,3,5-triazine-2,4-dione
Also Known As: hexazinone TP1, Hexazinon metabolite, Hexazinone metabolite A, Hexazinone (Metab A), 1,3,5-Triazine-2,4(1H,3H)-dione, 6-(dimethylamino)-3-(4-hydroxycyclohexyl)-1-methyl-
| Molecular Formula | C12H20N4O3 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.15353 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 72576-13-7 |
|---|---|
| SMILES | CN1C(=NC(=O)N(C1=O)C2CCC(CC2)O)N(C)C |
| InChIKey | ASCFMHBRJVKECO-UHFFFAOYSA-N |
Product Overview
Hexazinone (Metab A) (CAS 72576-13-7), with molecular formula C12H20N4O3 and molecular weight 268.15 g/mol. IUPAC: 6-(dimethylamino)-3-(4-hydroxycyclohexyl)-1-methyl-1,3,5-triazine-2,4-dione.
Chemical Property Profile of Hexazinone (Metab A)
Property Insights of Hexazinone (Metab A)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexazinone (Metab A). The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexazinone (Metab A). Following Lipinski's Rule of Five, Hexazinone (Metab A) has 1 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 Hexazinone (Metab A)?
The CAS number of Hexazinone (Metab A) is 72576-13-7.
What is the molecular formula of Hexazinone (Metab A)?
The molecular formula of Hexazinone (Metab A) is C12H20N4O3.
What is the molecular weight of Hexazinone (Metab A)?
The molecular weight of Hexazinone (Metab A) is 268.15 g/mol.
Where can I buy Hexazinone (Metab A)?
You can request a quote for Hexazinone (Metab A) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexazinone (Metab A)?
Yes, KEHONG BIO provides custom synthesis services for Hexazinone (Metab A) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.