Methyl 3-chloro-3,3-difluoropyruvate
TL;DR: Methyl 3-chloro-3,3-difluoropyruvate (CAS 182492-62-2) is a chemical compound with molecular formula C4H3ClF2O3 and molecular weight 171.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-3,3-difluoro-2-oxopropanoate
Also Known As: methyl 3-chloro-3,3-difluoropyruvate, methyl 3-chloro-3,3-difluoro-2-oxopropanoate, Methyl 3-chloro-3,3-difluoro-2-oxo-propanoate, InChI=1/C4H3ClF2O3/c1-10-3(9)2(8)4(5,6)7/h1H
| Molecular Formula | C4H3ClF2O3 |
|---|---|
| Molecular Weight | 171.97 g/mol |
| LogP | 0.5601 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.97388 |
| Heavy Atoms | 10 |
| Complexity | 162.37587 |
Chemical Identifiers
| CAS Number | 182492-62-2 |
|---|---|
| SMILES | COC(=O)C(=O)C(F)(F)Cl |
Product Overview
Methyl 3-chloro-3,3-difluoropyruvate (CAS 182492-62-2), with molecular formula C4H3ClF2O3 and molecular weight 171.97 g/mol. IUPAC: methyl 3-chloro-3,3-difluoro-2-oxopropanoate.
Chemical Property Profile of Methyl 3-chloro-3,3-difluoropyruvate
Property Insights of Methyl 3-chloro-3,3-difluoropyruvate
The XLogP value of 0.5601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-3,3-difluoropyruvate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-chloro-3,3-difluoropyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-3,3-difluoropyruvate 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 Methyl 3-chloro-3,3-difluoropyruvate?
The CAS number of Methyl 3-chloro-3,3-difluoropyruvate is 182492-62-2.
What is the molecular formula of Methyl 3-chloro-3,3-difluoropyruvate?
The molecular formula of Methyl 3-chloro-3,3-difluoropyruvate is C4H3ClF2O3.
What is the molecular weight of Methyl 3-chloro-3,3-difluoropyruvate?
The molecular weight of Methyl 3-chloro-3,3-difluoropyruvate is 171.97 g/mol.
Where can I buy Methyl 3-chloro-3,3-difluoropyruvate?
You can request a quote for Methyl 3-chloro-3,3-difluoropyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-3,3-difluoropyruvate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-3,3-difluoropyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.