Methyl 2-fluoro-3,3,3-trimethoxypropanoate
TL;DR: Methyl 2-fluoro-3,3,3-trimethoxypropanoate (CAS 77778-66-6) is a chemical compound with molecular formula C7H13FO5 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-fluoro-3,3,3-trimethoxypropanoate
Also Known As: methyl 2-fluoro-3,3,3-trimethoxypropanoate, 4-fluoro-7-methylisatin, Methyl-2-fluoro-3,3,3-trimethoxypropionate, Propanoic acid,2-fluoro-3,3,3-trimethoxy-, methyl ester, methyl 2-fluoro-3,3,3-trimethoxy-propanoate
| Molecular Formula | C7H13FO5 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.0905 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0747 |
| Heavy Atoms | 13 |
| Complexity | 160.00117 |
Chemical Identifiers
| CAS Number | 77778-66-6 |
|---|---|
| SMILES | COC(=O)C(C(OC)(OC)OC)F |
Product Overview
Methyl 2-fluoro-3,3,3-trimethoxypropanoate (CAS 77778-66-6), with molecular formula C7H13FO5 and molecular weight 196.07 g/mol. IUPAC: methyl 2-fluoro-3,3,3-trimethoxypropanoate.
Chemical Property Profile of Methyl 2-fluoro-3,3,3-trimethoxypropanoate
Property Insights of Methyl 2-fluoro-3,3,3-trimethoxypropanoate
The XLogP value of 0.0905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-fluoro-3,3,3-trimethoxypropanoate. With a topological polar surface area (TPSA) of 53.99 Ų, Methyl 2-fluoro-3,3,3-trimethoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-fluoro-3,3,3-trimethoxypropanoate 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 Methyl 2-fluoro-3,3,3-trimethoxypropanoate?
The CAS number of Methyl 2-fluoro-3,3,3-trimethoxypropanoate is 77778-66-6.
What is the molecular formula of Methyl 2-fluoro-3,3,3-trimethoxypropanoate?
The molecular formula of Methyl 2-fluoro-3,3,3-trimethoxypropanoate is C7H13FO5.
What is the molecular weight of Methyl 2-fluoro-3,3,3-trimethoxypropanoate?
The molecular weight of Methyl 2-fluoro-3,3,3-trimethoxypropanoate is 196.07 g/mol.
Where can I buy Methyl 2-fluoro-3,3,3-trimethoxypropanoate?
You can request a quote for Methyl 2-fluoro-3,3,3-trimethoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-fluoro-3,3,3-trimethoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-fluoro-3,3,3-trimethoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.