4-Methylphenyl 3-nitrobenzoate
TL;DR: 4-Methylphenyl 3-nitrobenzoate (CAS 36718-39-5) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 3-nitrobenzoate
Also Known As: 4-methylphenyl 3-nitrobenzoate, (4-methylphenyl) 3-nitrobenzoate, 3-nitro-benzoic acid p-tolyl ester, m-Nitrobenzoesaeure-p-methylphenylester
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 36718-39-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | SMNPQMRIWHLJOX-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 3-nitrobenzoate (CAS 36718-39-5), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (4-methylphenyl) 3-nitrobenzoate.
Chemical Property Profile of 4-Methylphenyl 3-nitrobenzoate
Property Insights of 4-Methylphenyl 3-nitrobenzoate
The XLogP value of 3.5 indicates that 4-Methylphenyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4-Methylphenyl 3-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 4-Methylphenyl 3-nitrobenzoate?
The CAS number of 4-Methylphenyl 3-nitrobenzoate is 36718-39-5.
What is the molecular formula of 4-Methylphenyl 3-nitrobenzoate?
The molecular formula of 4-Methylphenyl 3-nitrobenzoate is C14H11NO4.
What is the molecular weight of 4-Methylphenyl 3-nitrobenzoate?
The molecular weight of 4-Methylphenyl 3-nitrobenzoate is 257.07 g/mol.
Where can I buy 4-Methylphenyl 3-nitrobenzoate?
You can request a quote for 4-Methylphenyl 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-Methylphenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.