(3-Methylphenyl)methyl 4-nitrobenzoate
TL;DR: (3-Methylphenyl)methyl 4-nitrobenzoate (CAS 53218-08-9) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)methyl 4-nitrobenzoate
Also Known As: (3-methylphenyl)methyl 4-nitrobenzoate, 4-Nitrobenzoic acid 3-methylbenzyl ester, 3-Methylbenzyl 4''''-Nitrobenzoate, 4-Nitrobenzoicacid3-methylbenzylester, Benzenemethanol, 3-methyl-, 4-nitrobenzoate
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.26022 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 634.5767 |
Chemical Identifiers
| CAS Number | 53218-08-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(3-Methylphenyl)methyl 4-nitrobenzoate (CAS 53218-08-9), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: (3-methylphenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of (3-Methylphenyl)methyl 4-nitrobenzoate
Property Insights of (3-Methylphenyl)methyl 4-nitrobenzoate
The XLogP value of 3.26022 indicates that (3-Methylphenyl)methyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylphenyl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (3-Methylphenyl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 (3-Methylphenyl)methyl 4-nitrobenzoate?
The CAS number of (3-Methylphenyl)methyl 4-nitrobenzoate is 53218-08-9.
What is the molecular formula of (3-Methylphenyl)methyl 4-nitrobenzoate?
The molecular formula of (3-Methylphenyl)methyl 4-nitrobenzoate is C15H13NO4.
What is the molecular weight of (3-Methylphenyl)methyl 4-nitrobenzoate?
The molecular weight of (3-Methylphenyl)methyl 4-nitrobenzoate is 271.08 g/mol.
Where can I buy (3-Methylphenyl)methyl 4-nitrobenzoate?
You can request a quote for (3-Methylphenyl)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 (3-Methylphenyl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylphenyl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.