Chloroacetic acid, 3,4-dichlorophenyl ester
TL;DR: Chloroacetic acid, 3,4-dichlorophenyl ester (CAS 101580-93-2) is a chemical compound with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl) 2-chloroacetate
Also Known As: Chloroacetic acid, 3,4-dichlorophenyl ester, 3,4-Dichlorophenyl chloroacetate, (3,4-dichlorophenyl) 2-chloroacetate, Acetic acid, chloro-, 3,4-dichlorophenyl ester, Acetic acid, 2-chloro-, 3,4-dichlorophenyl ester
| Molecular Formula | C8H5Cl3O2 |
|---|---|
| Molecular Weight | 237.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.93552 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 101580-93-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(=O)CCl)Cl)Cl |
| InChIKey | CNALHVZXVPTLGY-UHFFFAOYSA-N |
Product Overview
Chloroacetic acid, 3,4-dichlorophenyl ester (CAS 101580-93-2), with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol. IUPAC: (3,4-dichlorophenyl) 2-chloroacetate.
Chemical Property Profile of Chloroacetic acid, 3,4-dichlorophenyl ester
Property Insights of Chloroacetic acid, 3,4-dichlorophenyl ester
The XLogP value of 3.6 indicates that Chloroacetic acid, 3,4-dichlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Chloroacetic acid, 3,4-dichlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetic acid, 3,4-dichlorophenyl ester 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 Chloroacetic acid, 3,4-dichlorophenyl ester?
The CAS number of Chloroacetic acid, 3,4-dichlorophenyl ester is 101580-93-2.
What is the molecular formula of Chloroacetic acid, 3,4-dichlorophenyl ester?
The molecular formula of Chloroacetic acid, 3,4-dichlorophenyl ester is C8H5Cl3O2.
What is the molecular weight of Chloroacetic acid, 3,4-dichlorophenyl ester?
The molecular weight of Chloroacetic acid, 3,4-dichlorophenyl ester is 237.94 g/mol.
Where can I buy Chloroacetic acid, 3,4-dichlorophenyl ester?
You can request a quote for Chloroacetic acid, 3,4-dichlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroacetic acid, 3,4-dichlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Chloroacetic acid, 3,4-dichlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.