2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate
TL;DR: 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate (CAS 80510-91-4) is a chemical compound with molecular formula C14H22N2O4Si and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate
Also Known As: 2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate, 2,2-Dimethyl-1,3-dioxa-6-aza-2-silacyclooctane-6-ethanol nicotinate (ester), 1,3-DIOXA-6-AZA-2-SILACYCLOOCTANE-6-ETHANOL, 2,2-DIMETHYL-, NICOTINATE (ester), Nicotinic acid, ester with 2,2-dimethyl-1,3-dioxa-6-aza-2-silacyllooctane-6-ethanol, Nicotinic acid 2-(2,2-dimethyl-[1,3,6,2]dioxazasilocan-6-yl)-ethyl ester
| Molecular Formula | C14H22N2O4Si |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.1349 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 80510-91-4 |
|---|---|
| SMILES | C[Si]1(OCCN(CCO1)CCOC(=O)C2=CN=CC=C2)C |
| InChIKey | HLFKNJHQJYSZCC-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate (CAS 80510-91-4), with molecular formula C14H22N2O4Si and molecular weight 310.13 g/mol. IUPAC: 2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate
Property Insights of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate has 0 hydrogen bond donor(s) and 6 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-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate?
The CAS number of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate is 80510-91-4.
What is the molecular formula of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate?
The molecular formula of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate is C14H22N2O4Si.
What is the molecular weight of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate?
The molecular weight of 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate is 310.13 g/mol.
Where can I buy 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate?
You can request a quote for 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-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-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.