2-Nitrophenyl 4-methoxybenzoate
TL;DR: 2-Nitrophenyl 4-methoxybenzoate (CAS 7464-45-1) 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.
(2-nitrophenyl) 4-methoxybenzoate
Also Known As: 2-nitrophenyl 4-methoxybenzoate, (2-nitrophenyl)4-methoxybenzoate, (2-nitrophenyl) 4-methoxybenzoate, Benzoicacid,4-methoxy-,2-nitrophenyl ester, BENZOICACID, 4-METHOXY-, 2-NITROPHENYL ESTER
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.2 |
| 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 | 7464-45-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | UYVDUQWRYPWKGD-UHFFFAOYSA-N |
Product Overview
2-Nitrophenyl 4-methoxybenzoate (CAS 7464-45-1), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (2-nitrophenyl) 4-methoxybenzoate.
Chemical Property Profile of 2-Nitrophenyl 4-methoxybenzoate
Property Insights of 2-Nitrophenyl 4-methoxybenzoate
The XLogP value of 3.2 indicates that 2-Nitrophenyl 4-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 2-Nitrophenyl 4-methoxybenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 4-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 2-Nitrophenyl 4-methoxybenzoate?
The CAS number of 2-Nitrophenyl 4-methoxybenzoate is 7464-45-1.
What is the molecular formula of 2-Nitrophenyl 4-methoxybenzoate?
The molecular formula of 2-Nitrophenyl 4-methoxybenzoate is C14H11NO5.
What is the molecular weight of 2-Nitrophenyl 4-methoxybenzoate?
The molecular weight of 2-Nitrophenyl 4-methoxybenzoate is 273.06 g/mol.
Where can I buy 2-Nitrophenyl 4-methoxybenzoate?
You can request a quote for 2-Nitrophenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.