1,4-Diazabicyclo(2.2.2)octane, hydrochloride
TL;DR: 1,4-Diazabicyclo(2.2.2)octane, hydrochloride (CAS 63872-66-2) is a chemical compound with molecular formula C6H13ClN2 and molecular weight 148.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diazabicyclo[2.2.2]octane;hydrochloride
Also Known As: DABCO hydrochloride, 2H-Pyran-2-one,3-acetyltetrahydro, 1,4-Diazabicyclo[2.2.2]octane, hydrochloride, 1,4-diazabicyclo[2.2.2]octane hydrochloride, 1,4,-Diazabicyclo[2.2.2]octane hydrochloride
| Molecular Formula | C6H13ClN2 |
|---|---|
| Molecular Weight | 148.08 g/mol |
| LogP | 0.0394 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.07672 |
| Heavy Atoms | 9 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 63872-66-2 |
|---|---|
| SMILES | C1CN2CCN1CC2.Cl |
| InChIKey | JLBFLZFFGYGZGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diazabicyclo(2.2.2)octane, hydrochloride (CAS 63872-66-2), with molecular formula C6H13ClN2 and molecular weight 148.08 g/mol. IUPAC: 1,4-diazabicyclo[2.2.2]octane;hydrochloride.
Chemical Property Profile of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride
Property Insights of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride
The XLogP value of 0.0394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diazabicyclo(2.2.2)octane, hydrochloride. With a topological polar surface area (TPSA) of 6.5 Ų, 1,4-Diazabicyclo(2.2.2)octane, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diazabicyclo(2.2.2)octane, hydrochloride has 1 hydrogen bond donor(s) and 2 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 1,4-Diazabicyclo(2.2.2)octane, hydrochloride?
The CAS number of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride is 63872-66-2.
What is the molecular formula of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride?
The molecular formula of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride is C6H13ClN2.
What is the molecular weight of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride?
The molecular weight of 1,4-Diazabicyclo(2.2.2)octane, hydrochloride is 148.08 g/mol.
Where can I buy 1,4-Diazabicyclo(2.2.2)octane, hydrochloride?
You can request a quote for 1,4-Diazabicyclo(2.2.2)octane, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diazabicyclo(2.2.2)octane, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diazabicyclo(2.2.2)octane, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.