2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate
TL;DR: 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate (CAS 5111-97-7) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethyl-3-pyridinyl) adamantane-1-carboxylate
Also Known As: BIM-0004876.P002, 2,6-dimethyl-3-pyridinyl 1-adamantanecarboxylate, (2,6-dimethylpyridin-3-yl) adamantane-1-carboxylate, 2,6-dimethylpyridin-3-yl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.82024 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 557.5969 |
Chemical Identifiers
| CAS Number | 5111-97-7 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C |
Product Overview
2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate (CAS 5111-97-7), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: (2,6-dimethyl-3-pyridinyl) adamantane-1-carboxylate.
Chemical Property Profile of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate
Property Insights of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate
The XLogP value of 3.82024 indicates that 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate 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 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate?
The CAS number of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate is 5111-97-7.
What is the molecular formula of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate?
The molecular formula of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate is C18H23NO2.
What is the molecular weight of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate?
The molecular weight of 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate is 285.17 g/mol.
Where can I buy 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate?
You can request a quote for 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3-pyridinyl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.