2-Nitrobenzoic acid phenacyl ester
TL;DR: 2-Nitrobenzoic acid phenacyl ester (CAS 55153-33-8) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-nitrobenzoate
Also Known As: phenacyl 2-nitrobenzoate, 2-Nitrobenzoic acid phenacyl ester, 2-oxo-2-phenylethyl 2-nitrobenzoate, BAS 00029483, Ethanone, 2-[(2-nitrobenzoyl)oxy]-1-phenyl-
| Molecular Formula | C15H11NO5 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.6345 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.06372 |
| Heavy Atoms | 21 |
| Complexity | 681.47314 |
Chemical Identifiers
| CAS Number | 55153-33-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Nitrobenzoic acid phenacyl ester (CAS 55153-33-8), with molecular formula C15H11NO5 and molecular weight 285.06 g/mol. IUPAC: phenacyl 2-nitrobenzoate.
Chemical Property Profile of 2-Nitrobenzoic acid phenacyl ester
Property Insights of 2-Nitrobenzoic acid phenacyl ester
The XLogP value of 2.6345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzoic acid phenacyl ester. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzoic acid phenacyl ester. Following Lipinski's Rule of Five, 2-Nitrobenzoic acid phenacyl 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 2-Nitrobenzoic acid phenacyl ester?
The CAS number of 2-Nitrobenzoic acid phenacyl ester is 55153-33-8.
What is the molecular formula of 2-Nitrobenzoic acid phenacyl ester?
The molecular formula of 2-Nitrobenzoic acid phenacyl ester is C15H11NO5.
What is the molecular weight of 2-Nitrobenzoic acid phenacyl ester?
The molecular weight of 2-Nitrobenzoic acid phenacyl ester is 285.06 g/mol.
Where can I buy 2-Nitrobenzoic acid phenacyl ester?
You can request a quote for 2-Nitrobenzoic acid phenacyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzoic acid phenacyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzoic acid phenacyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.