Dichloroacetic acid, 4-methoxyphenyl ester
TL;DR: Dichloroacetic acid, 4-methoxyphenyl ester (CAS 26921-58-4) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2,2-dichloroacetate
Also Known As: 4-Methoxyphenyl dichloroacetate, Dichloroacetic acid, 4-methoxyphenyl ester, (4-methoxyphenyl) 2,2-dichloroacetate, (4-methoxyphenyl)-2,2-dichloroacetate, Dichloroacetic acid 4-methoxyphenyl ester
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.98505 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 26921-58-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C(Cl)Cl |
| InChIKey | FYSUBKYBGWIHKT-UHFFFAOYSA-N |
Product Overview
Dichloroacetic acid, 4-methoxyphenyl ester (CAS 26921-58-4), with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol. IUPAC: (4-methoxyphenyl) 2,2-dichloroacetate.
Chemical Property Profile of Dichloroacetic acid, 4-methoxyphenyl ester
Property Insights of Dichloroacetic acid, 4-methoxyphenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetic acid, 4-methoxyphenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Dichloroacetic acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetic acid, 4-methoxyphenyl ester has 0 hydrogen bond donor(s) and 3 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 Dichloroacetic acid, 4-methoxyphenyl ester?
The CAS number of Dichloroacetic acid, 4-methoxyphenyl ester is 26921-58-4.
What is the molecular formula of Dichloroacetic acid, 4-methoxyphenyl ester?
The molecular formula of Dichloroacetic acid, 4-methoxyphenyl ester is C9H8Cl2O3.
What is the molecular weight of Dichloroacetic acid, 4-methoxyphenyl ester?
The molecular weight of Dichloroacetic acid, 4-methoxyphenyl ester is 233.99 g/mol.
Where can I buy Dichloroacetic acid, 4-methoxyphenyl ester?
You can request a quote for Dichloroacetic acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroacetic acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dichloroacetic acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.