1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-
TL;DR: 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- (CAS 100673-11-8) is a chemical compound with molecular formula C15H14O2S2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiol-2-ylidene)-1-phenylhexane-1,3-dione
Also Known As: 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-, 2-(1,3-Dithiol-2-ylidene)-1-phenyl-1,3-hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenylhexane-1,3-dione, 2-(2H-1,3-Dithiol-2-ylidene)-1-phenylhexane-1,3-dione, RefChem:219228
| Molecular Formula | C15H14O2S2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.4013 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.04352 |
| Heavy Atoms | 19 |
| Complexity | 534.5238 |
Chemical Identifiers
| CAS Number | 100673-11-8 |
|---|---|
| SMILES | CCCC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC=C2 |
Product Overview
1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- (CAS 100673-11-8), with molecular formula C15H14O2S2 and molecular weight 290.04 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)-1-phenylhexane-1,3-dione.
Chemical Property Profile of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-
Property Insights of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-
The XLogP value of 4.4013 indicates that 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- 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 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-?
The CAS number of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- is 100673-11-8.
What is the molecular formula of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-?
The molecular formula of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- is C15H14O2S2.
What is the molecular weight of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-?
The molecular weight of 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- is 290.04 g/mol.
Where can I buy 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-?
You can request a quote for 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.