2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate
TL;DR: 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate (CAS 82531-55-3) is a chemical compound with molecular formula C7H7Cl2N3O6 and molecular weight 298.9712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate
Also Known As: 4-Dichloroacetyloxy-5-nitro-4,5-dihydrothymine, Dichloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester, (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate, ACETIC ACID, DICHLORO-, HEXAHYDRO-2,6-DIOXO-5-METHYL-5-NITRO-4-PYRIMIDINYL ESTER, 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate
Technical Specifications
| Molecular Formula | C7H7Cl2N3O6 |
| Molecular Weight | 298.9712 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.9712 Da |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
| SMILES | CC1(C(NC(=O)NC1=O)OC(=O)C(Cl)Cl)[N+](=O)[O-] |
| InChIKey | XHNRVDJBGSWOTP-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate
Property Insights of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate. Following Lipinski's Rule of Five, 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate?
The CAS number of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate is 82531-55-3.
What is the molecular formula of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate?
The molecular formula of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate is C7H7Cl2N3O6.
What is the molecular weight of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate?
The molecular weight of 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate is 298.9712 g/mol.
Where can I buy 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate?
You can request a quote for 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate?
Yes, CoreyChem provides custom synthesis services for 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.