1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride
TL;DR: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride (CAS 2731-62-6) is a chemical compound with molecular formula C14H21Cl2N3O2 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-pyridin-4-ylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
Also Known As: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride, 8-(2-(4-Pyridyl)ethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one dihydrochloride, 8-[2-(pyridin-4-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride, 1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-[2-(4-pyridinyl)ethyl]-, dihydrochloride, 1-Oxa-3,8-diazaspiro[4.5]decan-2-one,8-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:2)
| Molecular Formula | C14H21Cl2N3O2 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.0421 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.10107 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 2731-62-6 |
|---|---|
| SMILES | C1CN(CCC12CNC(=O)O2)CCC3=CC=NC=C3.Cl.Cl |
| InChIKey | YJKWBIFMXNQPHY-UHFFFAOYSA-N |
Product Overview
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride (CAS 2731-62-6), with molecular formula C14H21Cl2N3O2 and molecular weight 333.10 g/mol. IUPAC: 8-(2-pyridin-4-ylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.
Chemical Property Profile of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride
Property Insights of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride
The XLogP value of 2.0421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 54.5 Ų, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride has 3 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 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride?
The CAS number of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride is 2731-62-6.
What is the molecular formula of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride?
The molecular formula of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride is C14H21Cl2N3O2.
What is the molecular weight of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride?
The molecular weight of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride is 333.10 g/mol.
Where can I buy 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride?
You can request a quote for 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.