2-苯基-2-丙基-1,3-二硫戊环
TL;DR: 2-苯基-2-丙基-1,3-二硫戊环 (CAS 5769-03-9) is a chemical compound with molecular formula C12H16S2 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基-2-丙基-1,3-二硫戊环
2-phenyl-2-propyl-1,3-dithiolane
Also Known As: 2-Phenyl-2-propyl-1,3-dithiolane, 1,3-DITHIOLANE, 2-PHENYL-2-PROPYL-, Butyrophenone ethane-1,2-diyl dithioacetal, 4-19-00-00243 (Beilstein Handbook Reference), Phenylpropyl ketone (ethane-1,2-diyl)dithioacetal
| Molecular Formula | C12H16S2 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06934 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 5769-03-9 |
|---|---|
| SMILES | CCCC1(SCCS1)C2=CC=CC=C2 |
| InChIKey | LJFGHNLBEOVXBW-UHFFFAOYSA-N |
Product Overview
2-苯基-2-丙基-1,3-二硫戊环 (CAS 5769-03-9), with molecular formula C12H16S2 and molecular weight 224.07 g/mol. IUPAC: 2-phenyl-2-propyl-1,3-dithiolane.
Chemical Property Profile of 2-苯基-2-丙基-1,3-二硫戊环
Property Insights of 2-苯基-2-丙基-1,3-二硫戊环
The XLogP value of 4.0 indicates that 2-苯基-2-丙基-1,3-二硫戊环 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-苯基-2-丙基-1,3-二硫戊环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基-2-丙基-1,3-二硫戊环 has 0 hydrogen bond donor(s) and 2 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-苯基-2-丙基-1,3-二硫戊环?
The CAS number of 2-苯基-2-丙基-1,3-二硫戊环 is 5769-03-9.
What is the molecular formula of 2-苯基-2-丙基-1,3-二硫戊环?
The molecular formula of 2-苯基-2-丙基-1,3-二硫戊环 is C12H16S2.
What is the molecular weight of 2-苯基-2-丙基-1,3-二硫戊环?
The molecular weight of 2-苯基-2-丙基-1,3-二硫戊环 is 224.07 g/mol.
Where can I buy 2-苯基-2-丙基-1,3-二硫戊环?
You can request a quote for 2-苯基-2-丙基-1,3-二硫戊环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基-2-丙基-1,3-二硫戊环?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基-2-丙基-1,3-二硫戊环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.