2,2'-Bi-1,3-dithiolane, 2-phenyl-
TL;DR: 2,2'-Bi-1,3-dithiolane, 2-phenyl- (CAS 21504-27-8) is a chemical compound with molecular formula C12H14S4 and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-yl)-2-phenyl-1,3-dithiolane
Also Known As: 2-Phenyl-2,2'-bi, 2,2'-Bi-1,3-dithiolane, 2-phenyl-, 2,2'-Bi-1,3-dithiolane,2-phenyl, 2-Phenyl-2,2'-bi-1,3-dithiolane, 2-phenyl-[2,2']bi[1,3]dithiolanyl
| Molecular Formula | C12H14S4 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.99783 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 21504-27-8 |
|---|---|
| SMILES | C1CSC(S1)C2(SCCS2)C3=CC=CC=C3 |
| InChIKey | WUZAIGIESTYTCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Bi-1,3-dithiolane, 2-phenyl- (CAS 21504-27-8), with molecular formula C12H14S4 and molecular weight 286.00 g/mol. IUPAC: 2-(1,3-dithiolan-2-yl)-2-phenyl-1,3-dithiolane.
Chemical Property Profile of 2,2'-Bi-1,3-dithiolane, 2-phenyl-
Property Insights of 2,2'-Bi-1,3-dithiolane, 2-phenyl-
The XLogP value of 4.0 indicates that 2,2'-Bi-1,3-dithiolane, 2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Bi-1,3-dithiolane, 2-phenyl-. Following Lipinski's Rule of Five, 2,2'-Bi-1,3-dithiolane, 2-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 2,2'-Bi-1,3-dithiolane, 2-phenyl-?
The CAS number of 2,2'-Bi-1,3-dithiolane, 2-phenyl- is 21504-27-8.
What is the molecular formula of 2,2'-Bi-1,3-dithiolane, 2-phenyl-?
The molecular formula of 2,2'-Bi-1,3-dithiolane, 2-phenyl- is C12H14S4.
What is the molecular weight of 2,2'-Bi-1,3-dithiolane, 2-phenyl-?
The molecular weight of 2,2'-Bi-1,3-dithiolane, 2-phenyl- is 286.00 g/mol.
Where can I buy 2,2'-Bi-1,3-dithiolane, 2-phenyl-?
You can request a quote for 2,2'-Bi-1,3-dithiolane, 2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Bi-1,3-dithiolane, 2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Bi-1,3-dithiolane, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.