5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
TL;DR: 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione (CAS 7728-80-5) is a chemical compound with molecular formula C5H6BrFN2O3 and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
Also Known As: 5-bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione, 5-bromo-5-fluoro-6-methoxy-hexahydro-pyrimidine-2,4-dione, 5-bromo-5-fluoro-6-methoxy-dihydro-pyrimidine-2,4-dione, 5-bromo-5-fluoro-6-methoxydihydro-2,4(1H,3H)-pyrimidinedione, 5-Bromo-5-fluoro-6-methoxydihydropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C5H6BrFN2O3 |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.95457 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 7728-80-5 |
|---|---|
| SMILES | COC1C(C(=O)NC(=O)N1)(F)Br |
| InChIKey | KGUNAKJNYZTMDC-UHFFFAOYSA-N |
Product Overview
5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione (CAS 7728-80-5), with molecular formula C5H6BrFN2O3 and molecular weight 239.95 g/mol. IUPAC: 5-bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
Property Insights of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione. Following Lipinski's Rule of Five, 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione has 2 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 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione?
The CAS number of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione is 7728-80-5.
What is the molecular formula of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione?
The molecular formula of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione is C5H6BrFN2O3.
What is the molecular weight of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione?
The molecular weight of 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione is 239.95 g/mol.
Where can I buy 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione?
You can request a quote for 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione 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-6-methoxy-1,3-diazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.