2-Acetyl-4-methoxyphenyl 2-nitrobenzoate
TL;DR: 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate (CAS 332103-22-7) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-methoxyphenyl) 2-nitrobenzoate
Also Known As: 2-acetyl-4-methoxyphenyl 2-nitrobenzoate, (2-acetyl-4-methoxyphenyl) 2-nitrobenzoate, BAS 01121961, 2-Nitro-benzoic acid 2-acetyl-4-methoxy-phenyl ester
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 332103-22-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)OC)OC(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | LCAKZEUXTIDNGH-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-methoxyphenyl 2-nitrobenzoate (CAS 332103-22-7), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: (2-acetyl-4-methoxyphenyl) 2-nitrobenzoate.
Chemical Property Profile of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate
Property Insights of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate 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-Acetyl-4-methoxyphenyl 2-nitrobenzoate?
The CAS number of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate is 332103-22-7.
What is the molecular formula of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate?
The molecular formula of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate is C16H13NO6.
What is the molecular weight of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate?
The molecular weight of 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate is 315.07 g/mol.
Where can I buy 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate?
You can request a quote for 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-methoxyphenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.