4-Nitrophenyl 3-methoxybenzoate
TL;DR: 4-Nitrophenyl 3-methoxybenzoate (CAS 36718-85-1) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-methoxybenzoate
Also Known As: 4-nitrophenyl 3-methoxybenzoate, (4-nitrophenyl) 3-methoxybenzoate, m-Anisic acid, 4-nitrophenyl ester, Benzoic acid, 3-methoxy-, 4-nitrophenyl ester, RefChem:1071301
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 36718-85-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UFTJORSNWKUIQS-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 3-methoxybenzoate (CAS 36718-85-1), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (4-nitrophenyl) 3-methoxybenzoate.
Chemical Property Profile of 4-Nitrophenyl 3-methoxybenzoate
Property Insights of 4-Nitrophenyl 3-methoxybenzoate
The XLogP value of 3.1 indicates that 4-Nitrophenyl 3-methoxybenzoate 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 4-Nitrophenyl 3-methoxybenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 3-methoxybenzoate 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
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl 3-methoxybenzoate?
The CAS number of 4-Nitrophenyl 3-methoxybenzoate is 36718-85-1.
What is the molecular formula of 4-Nitrophenyl 3-methoxybenzoate?
The molecular formula of 4-Nitrophenyl 3-methoxybenzoate is C14H11NO5.
What is the molecular weight of 4-Nitrophenyl 3-methoxybenzoate?
The molecular weight of 4-Nitrophenyl 3-methoxybenzoate is 273.06 g/mol.
Where can I buy 4-Nitrophenyl 3-methoxybenzoate?
You can request a quote for 4-Nitrophenyl 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.