4-bromo-3H-1,3-oxazine-2,6-dione
TL;DR: 4-bromo-3H-1,3-oxazine-2,6-dione (CAS 53907-40-7) is a chemical compound with molecular formula C4H2BrNO3 and molecular weight 190.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3H-1,3-oxazine-2,6-dione
Also Known As: 4-bromo-3H-1,3-oxazine-2,6-dione, 4-bromo-3H-[1,3]oxazine-2,6-dione, 4-Bromo-1,3-[3H]-oxazine-2,6-dione, 4-Bromo-2H-1,3-oxazine-2,6(3H)-dione, 4-Bromo-2H-1,3-oxazine-2,6(3H)-dione #
| Molecular Formula | C4H2BrNO3 |
|---|---|
| Molecular Weight | 190.92 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.92181 |
| Heavy Atoms | 9 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 53907-40-7 |
|---|---|
| SMILES | C1=C(NC(=O)OC1=O)Br |
| InChIKey | KBHUOAPVWQSHJD-UHFFFAOYSA-N |
Product Overview
4-bromo-3H-1,3-oxazine-2,6-dione (CAS 53907-40-7), with molecular formula C4H2BrNO3 and molecular weight 190.92 g/mol. IUPAC: 4-bromo-3H-1,3-oxazine-2,6-dione.
Chemical Property Profile of 4-bromo-3H-1,3-oxazine-2,6-dione
Property Insights of 4-bromo-3H-1,3-oxazine-2,6-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3H-1,3-oxazine-2,6-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-bromo-3H-1,3-oxazine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-3H-1,3-oxazine-2,6-dione 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 4-bromo-3H-1,3-oxazine-2,6-dione?
The CAS number of 4-bromo-3H-1,3-oxazine-2,6-dione is 53907-40-7.
What is the molecular formula of 4-bromo-3H-1,3-oxazine-2,6-dione?
The molecular formula of 4-bromo-3H-1,3-oxazine-2,6-dione is C4H2BrNO3.
What is the molecular weight of 4-bromo-3H-1,3-oxazine-2,6-dione?
The molecular weight of 4-bromo-3H-1,3-oxazine-2,6-dione is 190.92 g/mol.
Where can I buy 4-bromo-3H-1,3-oxazine-2,6-dione?
You can request a quote for 4-bromo-3H-1,3-oxazine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3H-1,3-oxazine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3H-1,3-oxazine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.