(5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane
TL;DR: (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane (CAS 352458-68-5) is a chemical compound with molecular formula C21H22S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanylazulene
Also Known As: (5-ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane, 5-ethyl-3,8-dimethylazulen-1-yl 4-methylphenyl sulfide, 7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanylazulene
| Molecular Formula | C21H22S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 6.43026 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.14423 |
| Heavy Atoms | 22 |
| Complexity | 768.8476 |
Chemical Identifiers
| CAS Number | 352458-68-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C(C2=C(C=C1)C)SC3=CC=C(C=C3)C)C |
Product Overview
(5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane (CAS 352458-68-5), with molecular formula C21H22S and molecular weight 306.14 g/mol. IUPAC: 7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanylazulene.
Chemical Property Profile of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane
Property Insights of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane
The XLogP value of 6.43026 indicates that (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane?
The CAS number of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane is 352458-68-5.
What is the molecular formula of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane?
The molecular formula of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane is C21H22S.
What is the molecular weight of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane?
The molecular weight of (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane is 306.14 g/mol.
Where can I buy (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane?
You can request a quote for (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethyl-3,8-dimethylazulen-1-yl)(p-tolyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.