1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-
TL;DR: 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- (CAS 69922-36-7) is a chemical compound with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1,3-dithiolane
Also Known As: 2-(3,4-Dimethoxyphenyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(3,4-DIMETHOXYPHENYL)-, 10.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N.1, doi:10.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N.1, BRN 2846494
| Molecular Formula | C11H14O2S2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.04352 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 69922-36-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2SCCS2)OC |
| InChIKey | GCEOBMQOSMEWSN-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- (CAS 69922-36-7), with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-
Property Insights of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- 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-Dithiolane, 2-(3,4-dimethoxyphenyl)-?
The CAS number of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- is 69922-36-7.
What is the molecular formula of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-?
The molecular formula of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- is C11H14O2S2.
What is the molecular weight of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-?
The molecular weight of 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- is 242.04 g/mol.
Where can I buy 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-?
You can request a quote for 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.