2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate
TL;DR: 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate (CAS 74470-23-8) is a chemical compound with molecular formula C26H21Cl3O6 and molecular weight 534.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-bis[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenyl] acetate
Also Known As: 4-acetonyl-benz[de]anthracen-7-one, 2,6-bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate, [2,6-bis[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-4-chloro, [2,6-bis[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenyl] acetate, 2,6-Bis[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenyl acetate
| Molecular Formula | C26H21Cl3O6 |
|---|---|
| Molecular Weight | 534.04 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.04034 |
| Heavy Atoms | 35 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 74470-23-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1O)CC2=CC(=CC(=C2OC(=O)C)CC3=C(C(=CC(=C3)Cl)C(=O)C)O)Cl)Cl |
| InChIKey | SGSHUQKNFQYIFL-UHFFFAOYSA-N |
Product Overview
2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate (CAS 74470-23-8), with molecular formula C26H21Cl3O6 and molecular weight 534.04 g/mol. IUPAC: [2,6-bis[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenyl] acetate.
Chemical Property Profile of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate
Property Insights of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate
The XLogP value of 7.2 indicates that 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate. Following Lipinski's Rule of Five, 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate?
The CAS number of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate is 74470-23-8.
What is the molecular formula of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate?
The molecular formula of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate is C26H21Cl3O6.
What is the molecular weight of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate?
The molecular weight of 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate is 534.04 g/mol.
Where can I buy 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate?
You can request a quote for 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(3-acetyl-5-chloro-2-hydroxybenzyl)-4-chlorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.