2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione
TL;DR: 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione (CAS 15021-43-9) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethyl-λ4-sulfanylidene)-1-phenylbutane-1,3-dione
Also Known As: 2-(dimethyl-, WJOMCDDRZVFVAZ-UHFFFAOYSA-, AE-848/32310058, 2-(Dimethylsulfonio)-1,3-dioxo-1-phenylbutan-2-ide, 2-(dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione
| Molecular Formula | C12H14O2S |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 2.1592 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07146 |
| Heavy Atoms | 15 |
| Complexity | 414.5081 |
Chemical Identifiers
| CAS Number | 15021-43-9 |
|---|---|
| SMILES | CC(=O)C(=S(C)C)C(=O)C1=CC=CC=C1 |
Product Overview
2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione (CAS 15021-43-9), with molecular formula C12H14O2S and molecular weight 222.07 g/mol. IUPAC: 2-(dimethyl-λ4-sulfanylidene)-1-phenylbutane-1,3-dione.
Chemical Property Profile of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione
Property Insights of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione
The XLogP value of 2.1592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione has 0 hydrogen bond donor(s) and 2 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-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione?
The CAS number of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione is 15021-43-9.
What is the molecular formula of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione?
The molecular formula of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione is C12H14O2S.
What is the molecular weight of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione?
The molecular weight of 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione is 222.07 g/mol.
Where can I buy 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione?
You can request a quote for 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethyl-lambda~4~-sulfanylidene)-1-phenyl-1,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.