Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-
TL;DR: Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- (CAS 647825-02-3) is a chemical compound with molecular formula C6H5Cl3O3 and molecular weight 229.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methyl-2-(trichloromethyl)-2H-furan-5-one
Also Known As: Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-, 3-hydroxy-4-methyl-5-(trichloromethyl)furan-2(5H)-one, 4-hydroxy-3-methyl-2-(trichloromethyl)-2H-furan-5-one, 3-hydroxy-4-methyl-5-(trichloromethyl)-5H-furan-2-one, 3-Hydroxy-4-methyl-5-(trichloromethyl)-2(5H)-furanone #
| Molecular Formula | C6H5Cl3O3 |
|---|---|
| Molecular Weight | 229.93 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.93042 |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 647825-02-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC1C(Cl)(Cl)Cl)O |
| InChIKey | BCWOXLUSWLFSPU-UHFFFAOYSA-N |
Product Overview
Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- (CAS 647825-02-3), with molecular formula C6H5Cl3O3 and molecular weight 229.93 g/mol. IUPAC: 4-hydroxy-3-methyl-2-(trichloromethyl)-2H-furan-5-one.
Chemical Property Profile of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-
Property Insights of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-. With a topological polar surface area (TPSA) of 46.5 Ų, Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- has 1 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 Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-?
The CAS number of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- is 647825-02-3.
What is the molecular formula of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-?
The molecular formula of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- is C6H5Cl3O3.
What is the molecular weight of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-?
The molecular weight of Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- is 229.93 g/mol.
Where can I buy Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-?
You can request a quote for Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.