2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one
TL;DR: 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one (CAS 313375-49-4) is a chemical compound with molecular formula C15H10N2O5 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one
Also Known As: 2-(4-methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one, 2-(4-methoxy-3-nitrophenyl)-4H-3,1-benzoxazin-4-one, AB00095727-01, AH-034/34345003, 2-{3-nitro-4-methoxyphenyl}-4H-3,1-benzoxazin-4-one
| Molecular Formula | C15H10N2O5 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.05896 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 313375-49-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2)[N+](=O)[O-] |
| InChIKey | ALXDQDNKDCVDHJ-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one (CAS 313375-49-4), with molecular formula C15H10N2O5 and molecular weight 298.06 g/mol. IUPAC: 2-(4-methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one
Property Insights of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 6 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-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one?
The CAS number of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one is 313375-49-4.
What is the molecular formula of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one?
The molecular formula of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one is C15H10N2O5.
What is the molecular weight of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one?
The molecular weight of 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one is 298.06 g/mol.
Where can I buy 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one?
You can request a quote for 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxy-3-nitrophenyl)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.