Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester
TL;DR: Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester (CAS 378-68-7) is a chemical compound with molecular formula C4H3Cl2F3O2 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dichloro-3,3,3-trifluoropropanoate
Also Known As: methyl 2,2-dichloro-3,3,3-trifluoropropanoate, Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester, 2,2-dichloro-3,3,3-trifluoro-propionic acid methyl ester, InChI=1/C4H3Cl2F3O2/c1-11-2(10)3(5,6)4(7,8)9/h1H
| Molecular Formula | C4H3Cl2F3O2 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.94621 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 378-68-7 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(Cl)Cl |
| InChIKey | CXTHLUIZHFAWKT-UHFFFAOYSA-N |
Product Overview
Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester (CAS 378-68-7), with molecular formula C4H3Cl2F3O2 and molecular weight 209.95 g/mol. IUPAC: methyl 2,2-dichloro-3,3,3-trifluoropropanoate.
Chemical Property Profile of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester
Property Insights of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester?
The CAS number of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester is 378-68-7.
What is the molecular formula of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester?
The molecular formula of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester is C4H3Cl2F3O2.
What is the molecular weight of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester?
The molecular weight of Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester is 209.95 g/mol.
Where can I buy Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester?
You can request a quote for Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.