Propanoic acid, 3,3,3-trichloro-, methyl ester
TL;DR: Propanoic acid, 3,3,3-trichloro-, methyl ester (CAS 20618-02-4) 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 3,3,3-trichloropropanoate
Also Known As: methyl 3,3,3-trichloropropanoate, Propanoic acid, 3,3,3-trichloro-, methyl ester, 3,3,3-Trichloropropanoic 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 | 2 |
| Exact Mass | 189.93552 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 20618-02-4 |
|---|---|
| SMILES | COC(=O)CC(Cl)(Cl)Cl |
| InChIKey | FBMIRDYZKMXRFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3,3-trichloro-, methyl ester (CAS 20618-02-4), with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol. IUPAC: methyl 3,3,3-trichloropropanoate.
Chemical Property Profile of Propanoic acid, 3,3,3-trichloro-, methyl ester
Property Insights of Propanoic acid, 3,3,3-trichloro-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3,3-trichloro-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3,3,3-trichloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3,3,3-trichloro-, methyl 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 Propanoic acid, 3,3,3-trichloro-, methyl ester?
The CAS number of Propanoic acid, 3,3,3-trichloro-, methyl ester is 20618-02-4.
What is the molecular formula of Propanoic acid, 3,3,3-trichloro-, methyl ester?
The molecular formula of Propanoic acid, 3,3,3-trichloro-, methyl ester is C4H5Cl3O2.
What is the molecular weight of Propanoic acid, 3,3,3-trichloro-, methyl ester?
The molecular weight of Propanoic acid, 3,3,3-trichloro-, methyl ester is 189.94 g/mol.
Where can I buy Propanoic acid, 3,3,3-trichloro-, methyl ester?
You can request a quote for Propanoic acid, 3,3,3-trichloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3,3,3-trichloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3,3-trichloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.