2-Hydroxy-1,4-benzoxazin-3-one
TL;DR: 2-Hydroxy-1,4-benzoxazin-3-one (CAS 27779-92-6) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4H-1,4-benzoxazin-3-one
Also Known As: HBOA, HBOA cpd, 2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-Hydroxy-1,4-benzoxazin-3-one, 2-hydroxy-4H-1,4-benzoxazin-3-one
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 27779-92-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(O2)O |
| InChIKey | VMQBFYRBJKDACN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-1,4-benzoxazin-3-one (CAS 27779-92-6), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 2-hydroxy-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-Hydroxy-1,4-benzoxazin-3-one
Property Insights of 2-Hydroxy-1,4-benzoxazin-3-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-1,4-benzoxazin-3-one. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Hydroxy-1,4-benzoxazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-1,4-benzoxazin-3-one has 2 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 2-Hydroxy-1,4-benzoxazin-3-one?
The CAS number of 2-Hydroxy-1,4-benzoxazin-3-one is 27779-92-6.
What is the molecular formula of 2-Hydroxy-1,4-benzoxazin-3-one?
The molecular formula of 2-Hydroxy-1,4-benzoxazin-3-one is C8H7NO3.
What is the molecular weight of 2-Hydroxy-1,4-benzoxazin-3-one?
The molecular weight of 2-Hydroxy-1,4-benzoxazin-3-one is 165.04 g/mol.
Where can I buy 2-Hydroxy-1,4-benzoxazin-3-one?
You can request a quote for 2-Hydroxy-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.