Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone
TL;DR: Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone (CAS 131147-39-2) is a chemical compound with molecular formula CC1(CCOC1=O)C(C)(F)F and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-difluoroethyl)-3-methyloxolan-2-one
Also Known As: alpha-Dfgbl, 3-(1,1-difluoroethyl)-3-methyloxolan-2-one, TETRAMETHYLAMMONIUM PLATINUM IODIDE, ALPHA-(1,1,-DIFLUOROETHYL)-ALPHA-METHYL-GAMMA-BUTYROLACTONE, alpha-(1,1-Difluoroethyl)-alpha-methyl-gamma-butyrolactone
| Molecular Formula | CC1(CCOC1=O)C(C)(F)F |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06488 |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 131147-39-2 |
|---|---|
| SMILES | CC1(CCOC1=O)C(C)(F)F |
| InChIKey | SPLYYSRLBQTVET-UHFFFAOYSA-N |
Product Overview
Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone (CAS 131147-39-2), with molecular formula CC1(CCOC1=O)C(C)(F)F and molecular weight 164.06 g/mol. IUPAC: 3-(1,1-difluoroethyl)-3-methyloxolan-2-one.
Chemical Property Profile of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone
Property Insights of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone. With a topological polar surface area (TPSA) of 26.3 Ų, Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone 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 Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone?
The CAS number of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone is 131147-39-2.
What is the molecular formula of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone?
The molecular formula of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone is CC1(CCOC1=O)C(C)(F)F.
What is the molecular weight of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone?
The molecular weight of Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone is 164.06 g/mol.
Where can I buy Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone?
You can request a quote for Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for Alpha-(1,1,-difluoroethyl)-alpha-methyl-gamma-butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.