4-Formylphenyl 3-methyl-4-nitrobenzoate
TL;DR: 4-Formylphenyl 3-methyl-4-nitrobenzoate (CAS 330974-60-2) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 3-methyl-4-nitrobenzoate
Also Known As: 4-formylphenyl 3-methyl-4-nitrobenzoate, BAS 00311966, (4-formylphenyl) 3-methyl-4-nitrobenzoate, AB00076836-01, 3-Methyl-4-nitro-benzoic acid 4-formyl-phenyl ester
| Molecular Formula | C15H11NO5 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.93492 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.06372 |
| Heavy Atoms | 21 |
| Complexity | 706.50397 |
Chemical Identifiers
| CAS Number | 330974-60-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C=O)[N+](=O)[O-] |
Product Overview
4-Formylphenyl 3-methyl-4-nitrobenzoate (CAS 330974-60-2), with molecular formula C15H11NO5 and molecular weight 285.06 g/mol. IUPAC: (4-formylphenyl) 3-methyl-4-nitrobenzoate.
Chemical Property Profile of 4-Formylphenyl 3-methyl-4-nitrobenzoate
Property Insights of 4-Formylphenyl 3-methyl-4-nitrobenzoate
The XLogP value of 2.93492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formylphenyl 3-methyl-4-nitrobenzoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formylphenyl 3-methyl-4-nitrobenzoate. Following Lipinski's Rule of Five, 4-Formylphenyl 3-methyl-4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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-Formylphenyl 3-methyl-4-nitrobenzoate?
The CAS number of 4-Formylphenyl 3-methyl-4-nitrobenzoate is 330974-60-2.
What is the molecular formula of 4-Formylphenyl 3-methyl-4-nitrobenzoate?
The molecular formula of 4-Formylphenyl 3-methyl-4-nitrobenzoate is C15H11NO5.
What is the molecular weight of 4-Formylphenyl 3-methyl-4-nitrobenzoate?
The molecular weight of 4-Formylphenyl 3-methyl-4-nitrobenzoate is 285.06 g/mol.
Where can I buy 4-Formylphenyl 3-methyl-4-nitrobenzoate?
You can request a quote for 4-Formylphenyl 3-methyl-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formylphenyl 3-methyl-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenyl 3-methyl-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.