2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮
TL;DR: 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 (CAS 15893-52-4) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Also Known As: DIMBOA, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one, DIMBOA?, 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazinone
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
| Melting Point | 168 - 169 °C |
Chemical Identifiers
| CAS Number | 15893-52-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O |
| InChIKey | GDNZNIJPBQATCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 (CAS 15893-52-4), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one.
Chemical Property Profile of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮
Property Insights of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮. Following Lipinski's Rule of Five, 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 has 2 hydrogen bond donor(s) and 5 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 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮?
The CAS number of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 is 15893-52-4.
What is the molecular formula of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮?
The molecular formula of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 is C9H9NO5.
What is the molecular weight of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮?
The molecular weight of 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 is 211.05 g/mol.
Where can I buy 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮?
You can request a quote for 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二羟基-7-甲氧基-1,4-苯并噁嗪-3-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.