2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (CAS 17359-53-4) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one
Also Known As: HMBOA, 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one, Cid 152213, 2-hydroxy-7-methoxy-1,4-benzoxazin-3-one
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| Melting Point | 198 - 199.5 °C |
Chemical Identifiers
| CAS Number | 17359-53-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C(O2)O |
| InChIKey | NDEPTLCFICMYLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (CAS 17359-53-4), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 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 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is 17359-53-4.
What is the molecular formula of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is C9H9NO4.
What is the molecular weight of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is 195.05 g/mol.
Where can I buy 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-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-7-methoxy-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.