1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
TL;DR: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- (CAS 106971-42-0) is a chemical compound with molecular formula C17H12O2S2 and molecular weight 312.03 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-naphthalen-1-ylbutane-1,3-dione
Also Known As: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-, 2-(1,3-Dithiol-2-ylidene)-1-(1-naphthyl)-1,3-butanedione, 2-(1,3-Dithiol-2-ylidene)-1-(1-naphthalenyl)-1,3-butanedione, 2-(1,3-dithiol-2-ylidene)-1-naphthalen-1-ylbutane-1,3-dione, 2-(2H-1,3-Dithiol-2-ylidene)-1-(naphthalen-1-yl)butane-1,3-dione
| Molecular Formula | C17H12O2S2 |
|---|---|
| Molecular Weight | 312.03 g/mol |
| LogP | 4.7743 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.02786 |
| Heavy Atoms | 21 |
| Complexity | 788.0472 |
Chemical Identifiers
| CAS Number | 106971-42-0 |
|---|---|
| SMILES | CC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- (CAS 106971-42-0), with molecular formula C17H12O2S2 and molecular weight 312.03 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)-1-naphthalen-1-ylbutane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
Property Insights of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-
The XLogP value of 4.7743 indicates that 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- 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-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- 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-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The CAS number of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is 106971-42-0.
What is the molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is C17H12O2S2.
What is the molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
The molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- is 312.03 g/mol.
Where can I buy 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
You can request a quote for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.