Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
TL;DR: Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester (CAS 82531-54-2) is a chemical compound with molecular formula C7H8ClN3O6 and molecular weight 265.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2-chloroacetate
Also Known As: 4-Chloroacetyloxy-5-nitro-4,5-dihydrothymine, (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2-chloroacetate, Chloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester, ACETIC ACID, CHLORO-, HEXAHYDRO-2,6-DIOXO-5-METHYL-5-NITRO-4-PYRIMIDINYL ESTER, 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl chloroacetate
| Molecular Formula | C7H8ClN3O6 |
|---|---|
| Molecular Weight | 265.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.01016 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 82531-54-2 |
|---|---|
| SMILES | CC1(C(NC(=O)NC1=O)OC(=O)CCl)[N+](=O)[O-] |
| InChIKey | ZXKILZLLJCXOQV-UHFFFAOYSA-N |
Product Overview
Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester (CAS 82531-54-2), with molecular formula C7H8ClN3O6 and molecular weight 265.01 g/mol. IUPAC: (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2-chloroacetate.
Chemical Property Profile of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
Property Insights of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
The XLogP value of -0.2 indicates that Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester. Following Lipinski's Rule of Five, Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester 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
Frequently Asked Questions
What is the CAS number of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester?
The CAS number of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester is 82531-54-2.
What is the molecular formula of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester?
The molecular formula of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester is C7H8ClN3O6.
What is the molecular weight of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester?
The molecular weight of Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester is 265.01 g/mol.
Where can I buy Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester?
You can request a quote for Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.