Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate
TL;DR: Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate (CAS 297149-77-0) 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.
methyl 3-(4-methylbenzoyl)oxy-4-nitrobenzoate
Also Known As: methyl 3-(4-methylbenzoyl)oxy-4-nitrobenzoate, methyl 3-(4-methylbenzoyloxy)-4-nitrobenzoate, Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate, methyl3-(4-methylbenzoyloxy)-4-nitrobenzoate, methyl 3-[(4-methylbenzoyl)oxy]-4-nitrobenzenecarboxylate
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.4 |
| 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 | 452.0 |
Chemical Identifiers
| CAS Number | 297149-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)OC)[N+](=O)[O-] |
| InChIKey | NFJRQFGDQSWGDP-UHFFFAOYSA-N |
Product Overview
Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate (CAS 297149-77-0), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: methyl 3-(4-methylbenzoyl)oxy-4-nitrobenzoate.
Chemical Property Profile of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate
Property Insights of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate
The XLogP value of 3.4 indicates that Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate 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 Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate?
The CAS number of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate is 297149-77-0.
What is the molecular formula of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate?
The molecular formula of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate is C16H13NO6.
What is the molecular weight of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate?
The molecular weight of Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate is 315.07 g/mol.
Where can I buy Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate?
You can request a quote for Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((4-methylbenzoyl)oxy)-4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.