(4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate
TL;DR: (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate (CAS 5631-55-0) is a chemical compound with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate
Also Known As: (4-acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate, BAS 00581675, 4-acetyl-2-methoxyphenyl 3,5-bisnitrobenzoate, 4-acetyl-2-methoxyphenyl 3,5-dinitrobenzoate, 3,5-Dinitro-benzoic acid 4-acetyl-2-methoxy-phenyl ester
| Molecular Formula | C16H12N2O8 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 2.9334 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.05936 |
| Heavy Atoms | 26 |
| Complexity | 890.21094 |
Chemical Identifiers
| CAS Number | 5631-55-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC |
Product Overview
(4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate (CAS 5631-55-0), with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol. IUPAC: (4-acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate
Property Insights of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate
The XLogP value of 2.9334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate 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 (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate?
The CAS number of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate is 5631-55-0.
What is the molecular formula of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate?
The molecular formula of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate is C16H12N2O8.
What is the molecular weight of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate?
The molecular weight of (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate is 360.06 g/mol.
Where can I buy (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate?
You can request a quote for (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetyl-2-methoxyphenyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.