Acetic acid, phenoxy-, 3-nitrophenyl ester
TL;DR: Acetic acid, phenoxy-, 3-nitrophenyl ester (CAS 29234-84-2) 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.
(3-nitrophenyl) 2-phenoxyacetate
Also Known As: 3-Nitrophenyl phenoxyacetate, (3-nitrophenyl) 2-phenoxyacetate, Acetic acid, phenoxy-, 3-nitrophenyl ester, RefChem:316677
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.5792 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 611.9711 |
Chemical Identifiers
| CAS Number | 29234-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
Acetic acid, phenoxy-, 3-nitrophenyl ester (CAS 29234-84-2), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (3-nitrophenyl) 2-phenoxyacetate.
Chemical Property Profile of Acetic acid, phenoxy-, 3-nitrophenyl ester
Property Insights of Acetic acid, phenoxy-, 3-nitrophenyl ester
The XLogP value of 2.5792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, phenoxy-, 3-nitrophenyl ester. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, phenoxy-, 3-nitrophenyl ester. Following Lipinski's Rule of Five, Acetic acid, phenoxy-, 3-nitrophenyl ester 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 Acetic acid, phenoxy-, 3-nitrophenyl ester?
The CAS number of Acetic acid, phenoxy-, 3-nitrophenyl ester is 29234-84-2.
What is the molecular formula of Acetic acid, phenoxy-, 3-nitrophenyl ester?
The molecular formula of Acetic acid, phenoxy-, 3-nitrophenyl ester is C14H11NO5.
What is the molecular weight of Acetic acid, phenoxy-, 3-nitrophenyl ester?
The molecular weight of Acetic acid, phenoxy-, 3-nitrophenyl ester is 273.06 g/mol.
Where can I buy Acetic acid, phenoxy-, 3-nitrophenyl ester?
You can request a quote for Acetic acid, phenoxy-, 3-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phenoxy-, 3-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phenoxy-, 3-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.