Methyl 2,2,3-trichloropropanoate
TL;DR: Methyl 2,2,3-trichloropropanoate (CAS 4749-35-3) is a chemical compound with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3-trichloropropanoate
Also Known As: Methyl 2,2,3-trichloropropanoate, methyl 2,2,3-trichlo-ropropanoate, Propanoic acid, 2,2,3-trichloro-, methyl ester, Propionic acid, 2,2,3-trichloro-, methyl ester, 2,2,3-Trichloropropionic acid methyl ester
| Molecular Formula | C4H5Cl3O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.93552 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 4749-35-3 |
|---|---|
| SMILES | COC(=O)C(CCl)(Cl)Cl |
| InChIKey | SXUZAHHOLLSZRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2,3-trichloropropanoate (CAS 4749-35-3), with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol. IUPAC: methyl 2,2,3-trichloropropanoate.
Chemical Property Profile of Methyl 2,2,3-trichloropropanoate
Property Insights of Methyl 2,2,3-trichloropropanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,3-trichloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2,3-trichloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,3-trichloropropanoate 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 Methyl 2,2,3-trichloropropanoate?
The CAS number of Methyl 2,2,3-trichloropropanoate is 4749-35-3.
What is the molecular formula of Methyl 2,2,3-trichloropropanoate?
The molecular formula of Methyl 2,2,3-trichloropropanoate is C4H5Cl3O2.
What is the molecular weight of Methyl 2,2,3-trichloropropanoate?
The molecular weight of Methyl 2,2,3-trichloropropanoate is 189.94 g/mol.
Where can I buy Methyl 2,2,3-trichloropropanoate?
You can request a quote for Methyl 2,2,3-trichloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,3-trichloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,3-trichloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.