4-甲基-2-苯乙基-1,3-二硫戊环
TL;DR: 4-甲基-2-苯乙基-1,3-二硫戊环 (CAS 102107-33-5) 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.
4-甲基-2-苯乙基-1,3-二硫戊环
4-methyl-2-(2-phenylethyl)-1,3-dithiolane
Also Known As: 4-Methyl-2-phenethyl-1,3-dithiolane, 4-methyl-2-(2-phenylethyl)-1,3-dithiolane, 1,3-DITHIOLANE, 4-METHYL-2-PHENETHYL-, RefChem:1052944, BRN 5503455
| Molecular Formula | C12H16S2 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 4.2 |
| 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 | 164.0 |
Chemical Identifiers
| CAS Number | 102107-33-5 |
|---|---|
| SMILES | CC1CSC(S1)CCC2=CC=CC=C2 |
| InChIKey | WOJVVVZQUUZHPN-UHFFFAOYSA-N |
Product Overview
4-甲基-2-苯乙基-1,3-二硫戊环 (CAS 102107-33-5), with molecular formula C12H16S2 and molecular weight 224.07 g/mol. IUPAC: 4-methyl-2-(2-phenylethyl)-1,3-dithiolane.
Chemical Property Profile of 4-甲基-2-苯乙基-1,3-二硫戊环
Property Insights of 4-甲基-2-苯乙基-1,3-二硫戊环
The XLogP value of 4.2 indicates that 4-甲基-2-苯乙基-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, 4-甲基-2-苯乙基-1,3-二硫戊环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-2-苯乙基-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 4-甲基-2-苯乙基-1,3-二硫戊环?
The CAS number of 4-甲基-2-苯乙基-1,3-二硫戊环 is 102107-33-5.
What is the molecular formula of 4-甲基-2-苯乙基-1,3-二硫戊环?
The molecular formula of 4-甲基-2-苯乙基-1,3-二硫戊环 is C12H16S2.
What is the molecular weight of 4-甲基-2-苯乙基-1,3-二硫戊环?
The molecular weight of 4-甲基-2-苯乙基-1,3-二硫戊环 is 224.07 g/mol.
Where can I buy 4-甲基-2-苯乙基-1,3-二硫戊环?
You can request a quote for 4-甲基-2-苯乙基-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 4-甲基-2-苯乙基-1,3-二硫戊环?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-2-苯乙基-1,3-二硫戊环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.