Benzoic acid, p-nitro-, o-tolyl ester
TL;DR: Benzoic acid, p-nitro-, o-tolyl ester (CAS 6278-77-9) 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.
(2-methylphenyl) 4-nitrobenzoate
Also Known As: 2-methylphenyl 4-nitrobenzoate, Benzoic acid, p-nitro-, o-tolyl ester, (2-methylphenyl) 4-nitrobenzoate, o-tolyl 4-nitrobenzoate, (2-methylphenyl)4-nitrobenzoate
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.1 |
| 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 | 6278-77-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JPSZFHPZVGXCEL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-nitro-, o-tolyl ester (CAS 6278-77-9), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (2-methylphenyl) 4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, p-nitro-, o-tolyl ester
Property Insights of Benzoic acid, p-nitro-, o-tolyl ester
The XLogP value of 3.1 indicates that Benzoic acid, p-nitro-, o-tolyl ester 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 Benzoic acid, p-nitro-, o-tolyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-nitro-, o-tolyl ester 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 Benzoic acid, p-nitro-, o-tolyl ester?
The CAS number of Benzoic acid, p-nitro-, o-tolyl ester is 6278-77-9.
What is the molecular formula of Benzoic acid, p-nitro-, o-tolyl ester?
The molecular formula of Benzoic acid, p-nitro-, o-tolyl ester is C14H11NO4.
What is the molecular weight of Benzoic acid, p-nitro-, o-tolyl ester?
The molecular weight of Benzoic acid, p-nitro-, o-tolyl ester is 257.07 g/mol.
Where can I buy Benzoic acid, p-nitro-, o-tolyl ester?
You can request a quote for Benzoic acid, p-nitro-, o-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-nitro-, o-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-nitro-, o-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.