4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-
TL;DR: 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- (CAS 77580-71-3) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4H-1,3-oxazin-5-one
Also Known As: 2-(4-bromophenyl)-4H-1,3-oxazin-5-one, 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-, 2-(4-Bromophenyl)-4H-1,3-oxazin-5(6H)-one, 2-(4-Bromophenyl)-5,6-dihydro-4H-1,3-oxazin-5-one, 2-(4-Bromophenyl)-4H-1,3-oxazin-5(6H)-one #
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 77580-71-3 |
|---|---|
| SMILES | C1C(=O)COC(=N1)C2=CC=C(C=C2)Br |
| InChIKey | ASQYQUAEUJSOJB-UHFFFAOYSA-N |
Product Overview
4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- (CAS 77580-71-3), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 2-(4-bromophenyl)-4H-1,3-oxazin-5-one.
Chemical Property Profile of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-
Property Insights of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- has 0 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 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-?
The CAS number of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- is 77580-71-3.
What is the molecular formula of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-?
The molecular formula of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- is C10H8BrNO2.
What is the molecular weight of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-?
The molecular weight of 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- is 252.97 g/mol.
Where can I buy 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-?
You can request a quote for 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Oxazin-5(6H)-one, 2-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.