3,5-Dichlorophenyl acetate
TL;DR: 3,5-Dichlorophenyl acetate (CAS 61925-86-8) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dichlorophenyl) acetate
Also Known As: 3,5-Dichlorophenyl acetate, 3,5-Dichlorophenol acetate, (3,5-dichlorophenyl) acetate, Phenol, 3,5-dichloro-, acetate, NCIOpen2_004553
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 61925-86-8 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1)Cl)Cl |
| InChIKey | DPHLEWZTIXLUGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichlorophenyl acetate (CAS 61925-86-8), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: (3,5-dichlorophenyl) acetate.
Chemical Property Profile of 3,5-Dichlorophenyl acetate
Property Insights of 3,5-Dichlorophenyl acetate
The XLogP value of 3.2 indicates that 3,5-Dichlorophenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5-Dichlorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorophenyl acetate has 0 hydrogen bond donor(s) and 2 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 3,5-Dichlorophenyl acetate?
The CAS number of 3,5-Dichlorophenyl acetate is 61925-86-8.
What is the molecular formula of 3,5-Dichlorophenyl acetate?
The molecular formula of 3,5-Dichlorophenyl acetate is C8H6Cl2O2.
What is the molecular weight of 3,5-Dichlorophenyl acetate?
The molecular weight of 3,5-Dichlorophenyl acetate is 203.97 g/mol.
Where can I buy 3,5-Dichlorophenyl acetate?
You can request a quote for 3,5-Dichlorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.