2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷
TL;DR: 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 (CAS 41159-15-3) is a chemical compound with molecular formula C11H13FS2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷
2-ethyl-2-(4-fluorophenyl)-1,3-dithiolane
Also Known As: 2-ethyl-2-(4-fluorophenyl)-1,3-dithiolane, 2-Ethyl-2-(p-fluorophenyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-ETHYL-2-(p-FLUOROPHENYL)-, BRN 5517968, RefChem:219185
| Molecular Formula | C11H13FS2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04427 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 41159-15-3 |
|---|---|
| SMILES | CCC1(SCCS1)C2=CC=C(C=C2)F |
| InChIKey | IEBZUNXXAKBBHS-UHFFFAOYSA-N |
Product Overview
2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 (CAS 41159-15-3), with molecular formula C11H13FS2 and molecular weight 228.04 g/mol. IUPAC: 2-ethyl-2-(4-fluorophenyl)-1,3-dithiolane.
Chemical Property Profile of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷
Property Insights of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷
The XLogP value of 3.7 indicates that 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 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-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 has 0 hydrogen bond donor(s) and 3 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-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷?
The CAS number of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 is 41159-15-3.
What is the molecular formula of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷?
The molecular formula of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 is C11H13FS2.
What is the molecular weight of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷?
The molecular weight of 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 is 228.04 g/mol.
Where can I buy 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷?
You can request a quote for 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-2-(对氟苯基)-1,3-二硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.