2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
TL;DR: 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate (CAS 455293-60-4) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: [2-(1-adamantyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate, 2-(adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C18H20ClNO3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.6773 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.11316 |
| Heavy Atoms | 23 |
| Complexity | 622.1375 |
Chemical Identifiers
| CAS Number | 455293-60-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(N=CC=C4)Cl |
Product Overview
2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate (CAS 455293-60-4), with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol. IUPAC: [2-(1-adamantyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
Property Insights of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
The XLogP value of 3.6773 indicates that 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate?
The CAS number of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate is 455293-60-4.
What is the molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate?
The molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate is C18H20ClNO3.
What is the molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate?
The molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate is 333.11 g/mol.
Where can I buy 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate?
You can request a quote for 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.