![2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- structure](/static/products/6851/68516-23-4.webp)
2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-
TL;DR: 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- (CAS 68516-23-4) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethylsulfanyl)-3-hydroxybutan-2-one
Also Known As: 3-(Furfurylthio)-3-hydroxybutan-2-one, 3-(2-Furanylmethylthio)-3-hydroxy-2-butanone, 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-, 2-Butanone, 3-((2-furanylmethyl)thio)-3-hydroxy-, 3-[(2-Furanylmethyl)thio]-3-hydroxy-2-butanone
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 68516-23-4 |
|---|---|
| SMILES | CC(=O)C(C)(O)SCC1=CC=CO1 |
| InChIKey | DRIFNOMSLSRDHQ-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- (CAS 68516-23-4), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 3-(furan-2-ylmethylsulfanyl)-3-hydroxybutan-2-one.
Chemical Property Profile of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-
Property Insights of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-. Following Lipinski's Rule of Five, 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- has 1 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 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-?
The CAS number of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- is 68516-23-4.
What is the molecular formula of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-?
The molecular formula of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- is C9H12O3S.
What is the molecular weight of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-?
The molecular weight of 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- is 200.05 g/mol.
Where can I buy 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-?
You can request a quote for 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-[(2-furanylmethyl)thio]-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.