p-(1-Adamantyl)toluene
TL;DR: p-(1-Adamantyl)toluene (CAS 1459-55-8) is a chemical compound with molecular formula C17H22 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)adamantane
Also Known As: p-(1-Adamantyl)toluene, 1-(p-Tolyl)adamantane, 1-(4-Methylphenyl)adamantane, 1-p-Tolyl-adamantane, 1-p-tolyladamantane
| Molecular Formula | C17H22 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.17215 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1459-55-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | RFQXTZGKFOTWFL-UHFFFAOYSA-N |
Product Overview
p-(1-Adamantyl)toluene (CAS 1459-55-8), with molecular formula C17H22 and molecular weight 226.17 g/mol. IUPAC: 1-(4-methylphenyl)adamantane.
Chemical Property Profile of p-(1-Adamantyl)toluene
Property Insights of p-(1-Adamantyl)toluene
The XLogP value of 5.9 indicates that p-(1-Adamantyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-(1-Adamantyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(1-Adamantyl)toluene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-(1-Adamantyl)toluene?
The CAS number of p-(1-Adamantyl)toluene is 1459-55-8.
What is the molecular formula of p-(1-Adamantyl)toluene?
The molecular formula of p-(1-Adamantyl)toluene is C17H22.
What is the molecular weight of p-(1-Adamantyl)toluene?
The molecular weight of p-(1-Adamantyl)toluene is 226.17 g/mol.
Where can I buy p-(1-Adamantyl)toluene?
You can request a quote for p-(1-Adamantyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(1-Adamantyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for p-(1-Adamantyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.