4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one
TL;DR: 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one (CAS 42573-97-7) is a chemical compound with molecular formula C11H10O3S2 and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-1,3-dithiol-2-one
Also Known As: 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one, 1,3-Dithiol-2-one,4-(2,5-dimethoxyphenyl)-, 4-(2',5'-Dimethoxyphenyl)-1,3-dithiol-2-on, 4-(2,5-dimethoxy-phenyl)-[1,3]dithiol-2-one, 1,3-DITHIOL-2-ONE, 4-(2,5-DIMETHOXYPHENYL)-
| Molecular Formula | C11H10O3S2 |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.00714 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 42573-97-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2=CSC(=O)S2 |
| InChIKey | YQJCAFRPRMNQQK-UHFFFAOYSA-N |
Product Overview
4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one (CAS 42573-97-7), with molecular formula C11H10O3S2 and molecular weight 254.01 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-1,3-dithiol-2-one.
Chemical Property Profile of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one
Property Insights of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one
The XLogP value of 3.0 indicates that 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one. Following Lipinski's Rule of Five, 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one 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 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one?
The CAS number of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one is 42573-97-7.
What is the molecular formula of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one?
The molecular formula of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one is C11H10O3S2.
What is the molecular weight of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one?
The molecular weight of 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one is 254.01 g/mol.
Where can I buy 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one?
You can request a quote for 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethoxyphenyl)-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.