(4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane
TL;DR: (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane (CAS 73861-75-3) is a chemical compound with molecular formula C17H22S and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfanylphenyl)adamantane
Also Known As: p-(Adamantyl-1)-methylthiobenzene, 1-[4-(Methylthio)phenyl]adamantane, 1-(4-methylsulfanylphenyl)adamantane, (4-((3r,5r,7r)-adamantan-1-yl)phenyl)(methyl)sulfane, 1-[4-(Methylsulfanyl)phenyl]adamantane #
| Molecular Formula | C17H22S |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.14423 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 73861-75-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | FTDANSONSFSPAS-UHFFFAOYSA-N |
Product Overview
(4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane (CAS 73861-75-3), with molecular formula C17H22S and molecular weight 258.14 g/mol. IUPAC: 1-(4-methylsulfanylphenyl)adamantane.
Chemical Property Profile of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane
Property Insights of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane
The XLogP value of 6.1 indicates that (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)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 (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane?
The CAS number of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane is 73861-75-3.
What is the molecular formula of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane?
The molecular formula of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane is C17H22S.
What is the molecular weight of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane?
The molecular weight of (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane is 258.14 g/mol.
Where can I buy (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane?
You can request a quote for (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for (4-((3r,5r,7r)-Adamantan-1-yl)phenyl)(methyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.