3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate
TL;DR: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate (CAS 610753-61-2) is a chemical compound with molecular formula C25H19NO8 and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] 3-nitrobenzoate
Also Known As: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate, VU0510262-1, [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] 3-nitrobenzoate, F3139-1466, 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl 3-nitrobenzoate
| Molecular Formula | C25H19NO8 |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 4.91302 |
| Topological Polar Surface Area | 118.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.11105 |
| Heavy Atoms | 34 |
| Complexity | 1488.5189 |
Chemical Identifiers
| CAS Number | 610753-61-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate (CAS 610753-61-2), with molecular formula C25H19NO8 and molecular weight 461.11 g/mol. IUPAC: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] 3-nitrobenzoate.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate
Property Insights of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate
The XLogP value of 4.91302 indicates that 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate?
The CAS number of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate is 610753-61-2.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate?
The molecular formula of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate is C25H19NO8.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate?
The molecular weight of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate is 461.11 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate?
You can request a quote for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.