Isopropyl adamantane-1-carboxylate
TL;DR: Isopropyl adamantane-1-carboxylate (CAS 24556-16-9) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl adamantane-1-carboxylate
Also Known As: isopropyl adamantane-1-carboxylate, propan-2-yl adamantane-1-carboxylate, Isopropyl 1-adamantanecarboxylate, Isopropyladamantane-1-carboxylate, iso-propyl 1-adamantanecarboxylate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 24556-16-9 |
|---|---|
| SMILES | CC(C)OC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | PHSXMXGYVSYRPF-UHFFFAOYSA-N |
Product Overview
Isopropyl adamantane-1-carboxylate (CAS 24556-16-9), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: propan-2-yl adamantane-1-carboxylate.
Chemical Property Profile of Isopropyl adamantane-1-carboxylate
Property Insights of Isopropyl adamantane-1-carboxylate
The XLogP value of 3.5 indicates that Isopropyl adamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl adamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl adamantane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 Isopropyl adamantane-1-carboxylate?
The CAS number of Isopropyl adamantane-1-carboxylate is 24556-16-9.
What is the molecular formula of Isopropyl adamantane-1-carboxylate?
The molecular formula of Isopropyl adamantane-1-carboxylate is C14H22O2.
What is the molecular weight of Isopropyl adamantane-1-carboxylate?
The molecular weight of Isopropyl adamantane-1-carboxylate is 222.16 g/mol.
Where can I buy Isopropyl adamantane-1-carboxylate?
You can request a quote for Isopropyl adamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl adamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.