1-(4-Chlorophenyl)adamantane
TL;DR: 1-(4-Chlorophenyl)adamantane (CAS 59974-40-2) is a chemical compound with molecular formula C16H19Cl and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)adamantane
Also Known As: 1-(4-chlorophenyl)adamantane, 1-(4-Chlorophenyl)tricyclo[3.3.1.13,7]decane
| Molecular Formula | C16H19Cl |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 4.8078 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.11752 |
| Heavy Atoms | 17 |
| Complexity | 396.0591 |
Chemical Identifiers
| CAS Number | 59974-40-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-Chlorophenyl)adamantane (CAS 59974-40-2), with molecular formula C16H19Cl and molecular weight 246.12 g/mol. IUPAC: 1-(4-chlorophenyl)adamantane.
Chemical Property Profile of 1-(4-Chlorophenyl)adamantane
Property Insights of 1-(4-Chlorophenyl)adamantane
The XLogP value of 4.8078 indicates that 1-(4-Chlorophenyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(4-Chlorophenyl)adamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)adamantane has 0 hydrogen bond donor(s) and 0 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 1-(4-Chlorophenyl)adamantane?
The CAS number of 1-(4-Chlorophenyl)adamantane is 59974-40-2.
What is the molecular formula of 1-(4-Chlorophenyl)adamantane?
The molecular formula of 1-(4-Chlorophenyl)adamantane is C16H19Cl.
What is the molecular weight of 1-(4-Chlorophenyl)adamantane?
The molecular weight of 1-(4-Chlorophenyl)adamantane is 246.12 g/mol.
Where can I buy 1-(4-Chlorophenyl)adamantane?
You can request a quote for 1-(4-Chlorophenyl)adamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.