4-Methoxyphenyl 3-nitrobenzoate
TL;DR: 4-Methoxyphenyl 3-nitrobenzoate (CAS 36718-56-6) 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-methoxyphenyl) 3-nitrobenzoate
Also Known As: 4-Methoxyphenyl 3-nitrobenzoate, (4-methoxyphenyl) 3-nitrobenzoate, 666-103-3, RefChem:524799
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.8226 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 636.26746 |
Chemical Identifiers
| CAS Number | 36718-56-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
4-Methoxyphenyl 3-nitrobenzoate (CAS 36718-56-6), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (4-methoxyphenyl) 3-nitrobenzoate.
Chemical Property Profile of 4-Methoxyphenyl 3-nitrobenzoate
Property Insights of 4-Methoxyphenyl 3-nitrobenzoate
The XLogP value of 2.8226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl 3-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxyphenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4-Methoxyphenyl 3-nitrobenzoate 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-Methoxyphenyl 3-nitrobenzoate?
The CAS number of 4-Methoxyphenyl 3-nitrobenzoate is 36718-56-6.
What is the molecular formula of 4-Methoxyphenyl 3-nitrobenzoate?
The molecular formula of 4-Methoxyphenyl 3-nitrobenzoate is C14H11NO5.
What is the molecular weight of 4-Methoxyphenyl 3-nitrobenzoate?
The molecular weight of 4-Methoxyphenyl 3-nitrobenzoate is 273.06 g/mol.
Where can I buy 4-Methoxyphenyl 3-nitrobenzoate?
You can request a quote for 4-Methoxyphenyl 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-Methoxyphenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.