Methyl 2-adamantanylquinoline-4-carboxylate
TL;DR: Methyl 2-adamantanylquinoline-4-carboxylate (CAS 438229-35-7) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)quinoline-4-carboxylate
Also Known As: methyl 2-adamantanylquinoline-4-carboxylate, methyl 2-(1-adamantyl)-4-quinolinecarboxylate, methyl 2-(1-adamantyl)quinoline-4-carboxylate, METHYL 2-(ADAMANTAN-1-YL)QUINOLINE-4-CARBOXYLATE, methyl 2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)quinoline-4-carboxylate
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 4.4892 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 790.41437 |
Chemical Identifiers
| CAS Number | 438229-35-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC2=CC=CC=C21)C34CC5CC(C3)CC(C5)C4 |
Product Overview
Methyl 2-adamantanylquinoline-4-carboxylate (CAS 438229-35-7), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: methyl 2-(1-adamantyl)quinoline-4-carboxylate.
Chemical Property Profile of Methyl 2-adamantanylquinoline-4-carboxylate
Property Insights of Methyl 2-adamantanylquinoline-4-carboxylate
The XLogP value of 4.4892 indicates that Methyl 2-adamantanylquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-adamantanylquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-adamantanylquinoline-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-adamantanylquinoline-4-carboxylate?
The CAS number of Methyl 2-adamantanylquinoline-4-carboxylate is 438229-35-7.
What is the molecular formula of Methyl 2-adamantanylquinoline-4-carboxylate?
The molecular formula of Methyl 2-adamantanylquinoline-4-carboxylate is C21H23NO2.
What is the molecular weight of Methyl 2-adamantanylquinoline-4-carboxylate?
The molecular weight of Methyl 2-adamantanylquinoline-4-carboxylate is 321.17 g/mol.
Where can I buy Methyl 2-adamantanylquinoline-4-carboxylate?
You can request a quote for Methyl 2-adamantanylquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-adamantanylquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-adamantanylquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.