2-Nitrophenyl 3-methylbenzoate
TL;DR: 2-Nitrophenyl 3-methylbenzoate (CAS 36718-36-2) 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-nitrophenyl) 3-methylbenzoate
Also Known As: 2-nitrophenyl 3-methylbenzoate, (2-nitrophenyl) 3-methylbenzoate, m-Methylbenzoesaeure-o-nitrophenylester, 3-Methyl-benzoic acid 2-nitro-phenyl ester, AN-329/40805093
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.12242 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 636.848 |
Chemical Identifiers
| CAS Number | 36718-36-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Nitrophenyl 3-methylbenzoate (CAS 36718-36-2), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (2-nitrophenyl) 3-methylbenzoate.
Chemical Property Profile of 2-Nitrophenyl 3-methylbenzoate
Property Insights of 2-Nitrophenyl 3-methylbenzoate
The XLogP value of 3.12242 indicates that 2-Nitrophenyl 3-methylbenzoate 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 2-Nitrophenyl 3-methylbenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 3-methylbenzoate 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 2-Nitrophenyl 3-methylbenzoate?
The CAS number of 2-Nitrophenyl 3-methylbenzoate is 36718-36-2.
What is the molecular formula of 2-Nitrophenyl 3-methylbenzoate?
The molecular formula of 2-Nitrophenyl 3-methylbenzoate is C14H11NO4.
What is the molecular weight of 2-Nitrophenyl 3-methylbenzoate?
The molecular weight of 2-Nitrophenyl 3-methylbenzoate is 257.07 g/mol.
Where can I buy 2-Nitrophenyl 3-methylbenzoate?
You can request a quote for 2-Nitrophenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.