Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
TL;DR: Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate (CAS 439095-22-4) is a chemical compound with molecular formula C16H13NO7 and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
Also Known As: methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate, methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzenecarboxylate, methylformylnitrophenoxymethoxybenzenecarboxylate, 3T-0206, methyl4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
| Molecular Formula | C16H13NO7 |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.9948 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0692 |
| Heavy Atoms | 24 |
| Complexity | 801.0081 |
Chemical Identifiers
| CAS Number | 439095-22-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
Product Overview
Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate (CAS 439095-22-4), with molecular formula C16H13NO7 and molecular weight 331.07 g/mol. IUPAC: methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate.
Chemical Property Profile of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
Property Insights of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
The XLogP value of 2.9948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate has 0 hydrogen bond donor(s) and 7 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 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate?
The CAS number of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate is 439095-22-4.
What is the molecular formula of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate?
The molecular formula of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate is C16H13NO7.
What is the molecular weight of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate?
The molecular weight of Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate is 331.07 g/mol.
Where can I buy Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate?
You can request a quote for Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.