Phenacyl 2-chloro-5-nitrobenzoate
TL;DR: Phenacyl 2-chloro-5-nitrobenzoate (CAS 282730-80-7) is a chemical compound with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-chloro-5-nitrobenzoate
Also Known As: phenacyl 2-chloro-5-nitrobenzoate, 2-oxo-2-phenylethyl 2-chloro-5-nitrobenzoate
| Molecular Formula | C15H10ClNO5 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.02475 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 282730-80-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| InChIKey | GZVATEIAGYVWFE-UHFFFAOYSA-N |
Product Overview
Phenacyl 2-chloro-5-nitrobenzoate (CAS 282730-80-7), with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol. IUPAC: phenacyl 2-chloro-5-nitrobenzoate.
Chemical Property Profile of Phenacyl 2-chloro-5-nitrobenzoate
Property Insights of Phenacyl 2-chloro-5-nitrobenzoate
The XLogP value of 3.8 indicates that Phenacyl 2-chloro-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl 2-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, Phenacyl 2-chloro-5-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 Phenacyl 2-chloro-5-nitrobenzoate?
The CAS number of Phenacyl 2-chloro-5-nitrobenzoate is 282730-80-7.
What is the molecular formula of Phenacyl 2-chloro-5-nitrobenzoate?
The molecular formula of Phenacyl 2-chloro-5-nitrobenzoate is C15H10ClNO5.
What is the molecular weight of Phenacyl 2-chloro-5-nitrobenzoate?
The molecular weight of Phenacyl 2-chloro-5-nitrobenzoate is 319.02 g/mol.
Where can I buy Phenacyl 2-chloro-5-nitrobenzoate?
You can request a quote for Phenacyl 2-chloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 2-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 2-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.