(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
TL;DR: (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol (CAS 83106-70-1) is a chemical compound with molecular formula C26H24Cl2O3 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-ethynyl-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester, [(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C26H24Cl2O3 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 7.0184 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11026 |
| Heavy Atoms | 31 |
| Complexity | 1043.8218 |
Chemical Identifiers
| CAS Number | 83106-70-1 |
|---|---|
| SMILES | C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/C(C#C)OC(=O)C3C(C3(C)C)C=C(Cl)Cl |
Product Overview
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol (CAS 83106-70-1), with molecular formula C26H24Cl2O3 and molecular weight 454.11 g/mol. IUPAC: [(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
Property Insights of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
The XLogP value of 7.0184 indicates that (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol?
The CAS number of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol is 83106-70-1.
What is the molecular formula of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol?
The molecular formula of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol is C26H24Cl2O3.
What is the molecular weight of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol?
The molecular weight of (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol is 454.11 g/mol.
Where can I buy (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol?
You can request a quote for (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.