3,6-Dichloro-2-(2-chloroallyl)phenyl acetate
TL;DR: 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate (CAS 139548-93-9) is a chemical compound with molecular formula C11H9Cl3O2 and molecular weight 277.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,6-dichloro-2-(2-chloroprop-2-enyl)phenyl] acetate
Also Known As: 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate, [3,6-dichloro-2-(2-chloroprop-2-enyl)phenyl] Acetate, Phenol, 3,6-dichloro-2-(2-chloro-2-propen-1-yl)-, 1-acetate
| Molecular Formula | C11H9Cl3O2 |
|---|---|
| Molecular Weight | 277.97 g/mol |
| LogP | 4.2137 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.96683 |
| Heavy Atoms | 16 |
| Complexity | 400.10098 |
Chemical Identifiers
| CAS Number | 139548-93-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1CC(=C)Cl)Cl)Cl |
Product Overview
3,6-Dichloro-2-(2-chloroallyl)phenyl acetate (CAS 139548-93-9), with molecular formula C11H9Cl3O2 and molecular weight 277.97 g/mol. IUPAC: [3,6-dichloro-2-(2-chloroprop-2-enyl)phenyl] acetate.
Chemical Property Profile of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate
Property Insights of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate
The XLogP value of 4.2137 indicates that 3,6-Dichloro-2-(2-chloroallyl)phenyl 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, 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-2-(2-chloroallyl)phenyl 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 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate?
The CAS number of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate is 139548-93-9.
What is the molecular formula of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate?
The molecular formula of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate is C11H9Cl3O2.
What is the molecular weight of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate?
The molecular weight of 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate is 277.97 g/mol.
Where can I buy 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate?
You can request a quote for 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-2-(2-chloroallyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.