Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester
TL;DR: Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester (CAS 142599-44-8) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl)methyl 4-methoxybenzoate
Also Known As: (4-nitrophenyl)methyl 4-methoxybenzoate, Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester, 4-NITROBENZYL 4-METHOXYBENZOATE
Technical Specifications
| Molecular Formula | C15H13NO5 |
| Molecular Weight | 287.07938 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DCTGPNBSVLWJEY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester
Property Insights of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester
The XLogP value of 3.8 indicates that Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester 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
What is the CAS number of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester?
The CAS number of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester is 142599-44-8.
What is the molecular formula of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester?
The molecular formula of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester is C15H13NO5.
What is the molecular weight of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester?
The molecular weight of Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester is 287.07938 g/mol.
Where can I buy Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester?
You can request a quote for Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-methoxy-, (4-nitrophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.