(5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate
TL;DR: (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate (CAS 69907-70-6) is a chemical compound with molecular formula C6H6BrFN2O4 and molecular weight 267.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate
Also Known As: 5-bromo-5-fluoro-2,6-dioxohexahydro-4-pyrimidinyl acetate, (5-bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate, 5-bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl acetate, 5-Bromo-5-fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate
| Molecular Formula | C6H6BrFN2O4 |
|---|---|
| Molecular Weight | 267.95 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.9495 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 69907-70-6 |
|---|---|
| SMILES | CC(=O)OC1C(C(=O)NC(=O)N1)(F)Br |
| InChIKey | FQIKXLSODYKMTB-UHFFFAOYSA-N |
Product Overview
(5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate (CAS 69907-70-6), with molecular formula C6H6BrFN2O4 and molecular weight 267.95 g/mol. IUPAC: (5-bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate.
Chemical Property Profile of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate
Property Insights of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate. Following Lipinski's Rule of Five, (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate has 2 hydrogen bond donor(s) and 5 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 (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate?
The CAS number of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate is 69907-70-6.
What is the molecular formula of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate?
The molecular formula of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate is C6H6BrFN2O4.
What is the molecular weight of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate?
The molecular weight of (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate is 267.95 g/mol.
Where can I buy (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate?
You can request a quote for (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Bromo-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.