1-Isopropyladamantane
TL;DR: 1-Isopropyladamantane (CAS 773-32-0) is a chemical compound with molecular formula C13H22 and molecular weight 178.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yladamantane
Also Known As: 1-isopropyladamantane, 1-isopropyl-adamantane, Isopropyl Adamantane, 1-propan-2-yladamantane, 1-(propan-2-yl)adamantane
| Molecular Formula | C13H22 |
|---|---|
| Molecular Weight | 178.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.17215 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 773-32-0 |
|---|---|
| SMILES | CC(C)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | ISDSLPMQFWIUPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isopropyladamantane (CAS 773-32-0), with molecular formula C13H22 and molecular weight 178.17 g/mol. IUPAC: 1-propan-2-yladamantane.
Chemical Property Profile of 1-Isopropyladamantane
Property Insights of 1-Isopropyladamantane
The XLogP value of 5.0 indicates that 1-Isopropyladamantane 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-Isopropyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyladamantane 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-Isopropyladamantane?
The CAS number of 1-Isopropyladamantane is 773-32-0.
What is the molecular formula of 1-Isopropyladamantane?
The molecular formula of 1-Isopropyladamantane is C13H22.
What is the molecular weight of 1-Isopropyladamantane?
The molecular weight of 1-Isopropyladamantane is 178.17 g/mol.
Where can I buy 1-Isopropyladamantane?
You can request a quote for 1-Isopropyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.