Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester
TL;DR: Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester (CAS 1530-56-9) is a chemical compound with molecular formula C11H10ClNO6 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate
Also Known As: 4-chloro-1-diacetoxymethyl-2-nitro-benzene, (4-Chloro-2-nitrophenyl)methylene diacetate, (Acetyloxy)(4-chloro-2-nitrophenyl)methyl acetate, [acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate, ACETIC ACID ACETOXY-(4-CHLORO-2-NITRO-PHENYL)-METHYL ESTER
| Molecular Formula | C11H10ClNO6 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.01965 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 1530-56-9 |
|---|---|
| SMILES | CC(=O)OC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC(=O)C |
| InChIKey | JFZSKYRYLDKGRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester (CAS 1530-56-9), with molecular formula C11H10ClNO6 and molecular weight 287.02 g/mol. IUPAC: [acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate.
Chemical Property Profile of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester
Property Insights of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester. Following Lipinski's Rule of Five, Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester has 0 hydrogen bond donor(s) and 6 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 acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester?
The CAS number of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester is 1530-56-9.
What is the molecular formula of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester?
The molecular formula of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester is C11H10ClNO6.
What is the molecular weight of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester?
The molecular weight of Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester is 287.02 g/mol.
Where can I buy Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester?
You can request a quote for Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl 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 acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.