(Adamantan-1-yl)methyl pyridine-4-carboxylate
TL;DR: (Adamantan-1-yl)methyl pyridine-4-carboxylate (CAS 64140-41-6) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantylmethyl pyridine-4-carboxylate
Also Known As: 1-Admantylmethyl isonicotinate, Isonicotinic acid, 1-adamantylmethyl ester, 1-adamantylmethyl pyridine-4-carboxylate, Isonicotinic acid (1-adamantyl)methyl ester, isonicotinic acid adamantan-1-ylmethyl ester
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 64140-41-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=NC=C4 |
| InChIKey | DWZKGLSNCOFPKI-UHFFFAOYSA-N |
Product Overview
(Adamantan-1-yl)methyl pyridine-4-carboxylate (CAS 64140-41-6), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: 1-adamantylmethyl pyridine-4-carboxylate.
Chemical Property Profile of (Adamantan-1-yl)methyl pyridine-4-carboxylate
Property Insights of (Adamantan-1-yl)methyl pyridine-4-carboxylate
The XLogP value of 4.0 indicates that (Adamantan-1-yl)methyl pyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, (Adamantan-1-yl)methyl pyridine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Adamantan-1-yl)methyl pyridine-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 (Adamantan-1-yl)methyl pyridine-4-carboxylate?
The CAS number of (Adamantan-1-yl)methyl pyridine-4-carboxylate is 64140-41-6.
What is the molecular formula of (Adamantan-1-yl)methyl pyridine-4-carboxylate?
The molecular formula of (Adamantan-1-yl)methyl pyridine-4-carboxylate is C17H21NO2.
What is the molecular weight of (Adamantan-1-yl)methyl pyridine-4-carboxylate?
The molecular weight of (Adamantan-1-yl)methyl pyridine-4-carboxylate is 271.16 g/mol.
Where can I buy (Adamantan-1-yl)methyl pyridine-4-carboxylate?
You can request a quote for (Adamantan-1-yl)methyl pyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Adamantan-1-yl)methyl pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Adamantan-1-yl)methyl pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.