4-Formyl-2-methoxyphenyl 3-nitrobenzoate
TL;DR: 4-Formyl-2-methoxyphenyl 3-nitrobenzoate (CAS 294876-68-9) is a chemical compound with molecular formula C15H11NO6 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 3-nitrobenzoate
Also Known As: 4-Formyl-2-methoxyphenyl 3-nitrobenzoate, (4-formyl-2-methoxyphenyl) 3-nitrobenzoate, 4-formyl-2-methoxyphenyl m-nitrobenzoate, 4-Formyl-2-methoxyphenyl 3-nitrobenzoate #, (4-formyl-2-methoxy-phenyl) 3-nitrobenzoate
| Molecular Formula | C15H11NO6 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.05862 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 294876-68-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | DPYKDLGCJXVBIJ-UHFFFAOYSA-N |
Product Overview
4-Formyl-2-methoxyphenyl 3-nitrobenzoate (CAS 294876-68-9), with molecular formula C15H11NO6 and molecular weight 301.06 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 3-nitrobenzoate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate
Property Insights of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 3-nitrobenzoate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxyphenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 3-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 4-Formyl-2-methoxyphenyl 3-nitrobenzoate?
The CAS number of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate is 294876-68-9.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate?
The molecular formula of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate is C15H11NO6.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate?
The molecular weight of 4-Formyl-2-methoxyphenyl 3-nitrobenzoate is 301.06 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 3-nitrobenzoate?
You can request a quote for 4-Formyl-2-methoxyphenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-2-methoxyphenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.