2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
TL;DR: 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione (CAS 74440-20-3) is a chemical compound with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione
Also Known As: 2-1-phenyl-1,3-butanedione, 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione, KZ 1026, 2- -1-phenyl-1,3-butanedione, 2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione
| Molecular Formula | C13H12O2S2 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.02786 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 74440-20-3 |
|---|---|
| SMILES | CC(=O)C(=C1SCCS1)C(=O)C2=CC=CC=C2 |
| InChIKey | JZPYFWUDLGQTDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione (CAS 74440-20-3), with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol. IUPAC: 2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione.
Chemical Property Profile of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
Property Insights of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione 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 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione?
The CAS number of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione is 74440-20-3.
What is the molecular formula of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione?
The molecular formula of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione is C13H12O2S2.
What is the molecular weight of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione?
The molecular weight of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione is 264.03 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione?
You can request a quote for 2-(1,3-Dithiolan-2-ylidene)-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-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.