8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one
TL;DR: 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one (CAS 1729-03-9) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3-(4-nitrophenyl)chromen-2-one
Also Known As: BAS 00212746, 8-methoxy-3-(4-nitrophenyl)chromen-2-one, 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one, Coumarine, 8-methoxy-3-(4-nitrophenyl)-, 8-Methoxy-3-(4-nitro-phenyl)-chromen-2-one
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 1729-03-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | UEQZBWZNEQUUQA-UHFFFAOYSA-N |
Product Overview
8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one (CAS 1729-03-9), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 8-methoxy-3-(4-nitrophenyl)chromen-2-one.
Chemical Property Profile of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one
Property Insights of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one
The XLogP value of 3.3 indicates that 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one has 0 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 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one?
The CAS number of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one is 1729-03-9.
What is the molecular formula of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one?
The molecular formula of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one is C16H11NO5.
What is the molecular weight of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one?
The molecular weight of 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one is 297.06 g/mol.
Where can I buy 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one?
You can request a quote for 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxy-3-(4-nitrophenyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.