4-Acetoxy-2,5-dichlorophenyl acetate
TL;DR: 4-Acetoxy-2,5-dichlorophenyl acetate (CAS 71155-99-2) is a chemical compound with molecular formula C10H8Cl2O4 and molecular weight 261.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2,5-dichlorophenyl) acetate
Also Known As: 2,5-dichlorobenzene-1,4-diyl diacetate, 4-Acetoxy-2,5-dichlorophenyl acetate, 4-acetyloxy-2,5-dichlorophenyl acetate, 2,5-Dichlorobenzene-1,4-diol diacetate, (4-acetyloxy-2,5-dichlorophenyl) acetate
| Molecular Formula | C10H8Cl2O4 |
|---|---|
| Molecular Weight | 261.98 g/mol |
| LogP | 2.844 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.97995 |
| Heavy Atoms | 16 |
| Complexity | 400.94034 |
Chemical Identifiers
| CAS Number | 71155-99-2 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1Cl)OC(=O)C)Cl |
Product Overview
4-Acetoxy-2,5-dichlorophenyl acetate (CAS 71155-99-2), with molecular formula C10H8Cl2O4 and molecular weight 261.98 g/mol. IUPAC: (4-acetyloxy-2,5-dichlorophenyl) acetate.
Chemical Property Profile of 4-Acetoxy-2,5-dichlorophenyl acetate
Property Insights of 4-Acetoxy-2,5-dichlorophenyl acetate
The XLogP value of 2.844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxy-2,5-dichlorophenyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Acetoxy-2,5-dichlorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetoxy-2,5-dichlorophenyl acetate has 0 hydrogen bond donor(s) and 4 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-2,5-dichlorophenyl acetate?
The CAS number of 4-Acetoxy-2,5-dichlorophenyl acetate is 71155-99-2.
What is the molecular formula of 4-Acetoxy-2,5-dichlorophenyl acetate?
The molecular formula of 4-Acetoxy-2,5-dichlorophenyl acetate is C10H8Cl2O4.
What is the molecular weight of 4-Acetoxy-2,5-dichlorophenyl acetate?
The molecular weight of 4-Acetoxy-2,5-dichlorophenyl acetate is 261.98 g/mol.
Where can I buy 4-Acetoxy-2,5-dichlorophenyl acetate?
You can request a quote for 4-Acetoxy-2,5-dichlorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-2,5-dichlorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-2,5-dichlorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.