4-Acetoxy-3,5-dimethoxybenzoyl chloride
TL;DR: 4-Acetoxy-3,5-dimethoxybenzoyl chloride (CAS 39657-47-1) is a chemical compound with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carbonochloridoyl-2,6-dimethoxyphenyl) acetate
Also Known As: 4-Acetoxy-3,5-dimethoxybenzoyl chloride, 3,5-dimethoxy-4-acetoxybenzoyl chloride, 4-acetoxy-3,5-dimethoxy-benzoyl chloride, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl acetate, (4-acetyloxy-3,5-dimethoxy)benzoyl chloride
| Molecular Formula | C11H11ClO5 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0295 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 39657-47-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)C(=O)Cl)OC |
| InChIKey | GUYBWIMXUDUWPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetoxy-3,5-dimethoxybenzoyl chloride (CAS 39657-47-1), with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol. IUPAC: (4-carbonochloridoyl-2,6-dimethoxyphenyl) acetate.
Chemical Property Profile of 4-Acetoxy-3,5-dimethoxybenzoyl chloride
Property Insights of 4-Acetoxy-3,5-dimethoxybenzoyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxy-3,5-dimethoxybenzoyl chloride. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetoxy-3,5-dimethoxybenzoyl chloride. Following Lipinski's Rule of Five, 4-Acetoxy-3,5-dimethoxybenzoyl chloride 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 4-Acetoxy-3,5-dimethoxybenzoyl chloride?
The CAS number of 4-Acetoxy-3,5-dimethoxybenzoyl chloride is 39657-47-1.
What is the molecular formula of 4-Acetoxy-3,5-dimethoxybenzoyl chloride?
The molecular formula of 4-Acetoxy-3,5-dimethoxybenzoyl chloride is C11H11ClO5.
What is the molecular weight of 4-Acetoxy-3,5-dimethoxybenzoyl chloride?
The molecular weight of 4-Acetoxy-3,5-dimethoxybenzoyl chloride is 258.03 g/mol.
Where can I buy 4-Acetoxy-3,5-dimethoxybenzoyl chloride?
You can request a quote for 4-Acetoxy-3,5-dimethoxybenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-3,5-dimethoxybenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-3,5-dimethoxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.