1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-
TL;DR: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- (CAS 100673-20-9) is a chemical compound with molecular formula C14H12O3S2 and molecular weight 292.02 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-(4-methoxyphenyl)butane-1,3-dione
Also Known As: 2-(1,3-Dithiol-2-ylidene)-1-(4-methoxyphenyl)-1,3-butanedione, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(2-furanyl)-, 2-(2H-1,3-Dithiol-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione
| Molecular Formula | C14H12O3S2 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 3.6297 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0228 |
| Heavy Atoms | 19 |
| Complexity | 560.8588 |
Chemical Identifiers
| CAS Number | 100673-20-9 |
|---|---|
| SMILES | CC(=O)C(=C1SC=CS1)C(=O)C2=CC=C(C=C2)OC |
Product Overview
1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- (CAS 100673-20-9), with molecular formula C14H12O3S2 and molecular weight 292.02 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-
Property Insights of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-
The XLogP value of 3.6297 indicates that 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- 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-(4-methoxyphenyl)- has 0 hydrogen bond donor(s) and 5 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-(4-methoxyphenyl)-?
The CAS number of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- is 100673-20-9.
What is the molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-?
The molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- is C14H12O3S2.
What is the molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-?
The molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- is 292.02 g/mol.
Where can I buy 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-?
You can request a quote for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- 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-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.