Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate
TL;DR: Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate (CAS 191029-77-3) is a chemical compound with molecular formula C7H11F3O4 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate
Also Known As: methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate, J3.570.487F, Methyl 4,4,4-trifluoro-3,3-dimethoxy-butanoate, 3,3-Dimethoxy-4,4,4-trifluorobutanoic acid methyl ester
| Molecular Formula | C7H11F3O4 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 1.1009 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.06094 |
| Heavy Atoms | 14 |
| Complexity | 197.6018 |
Chemical Identifiers
| CAS Number | 191029-77-3 |
|---|---|
| SMILES | COC(=O)CC(C(F)(F)F)(OC)OC |
Product Overview
Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate (CAS 191029-77-3), with molecular formula C7H11F3O4 and molecular weight 216.06 g/mol. IUPAC: methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate.
Chemical Property Profile of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate
Property Insights of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate
The XLogP value of 1.1009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate has 0 hydrogen bond donor(s) and 4 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 4,4,4-trifluoro-3,3-dimethoxybutanoate?
The CAS number of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate is 191029-77-3.
What is the molecular formula of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate?
The molecular formula of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate is C7H11F3O4.
What is the molecular weight of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate?
The molecular weight of Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate is 216.06 g/mol.
Where can I buy Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate?
You can request a quote for Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-trifluoro-3,3-dimethoxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.