4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide
TL;DR: 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide (CAS 62299-69-8) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol
Also Known As: 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide, 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide #, 4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol, 4-Ethynyl-1,2-dimethyl-1-oxodecahydro-1lambda~5~-quinolin-4-ol, 4(axial)-Ethynyl-1,2(equatorial)-dimethyl-trans-decahydroquinol-4-ol,N-oxide
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 62299-69-8 |
|---|---|
| SMILES | CC1CC(C2CCCCC2[N+]1(C)[O-])(C#C)O |
| InChIKey | MWFCMXJZHKNTGD-UHFFFAOYSA-N |
Product Overview
4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide (CAS 62299-69-8), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: 4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol.
Chemical Property Profile of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide
Property Insights of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide 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 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide?
The CAS number of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide is 62299-69-8.
What is the molecular formula of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide?
The molecular formula of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide is C13H21NO2.
What is the molecular weight of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide?
The molecular weight of 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide is 223.16 g/mol.
Where can I buy 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide?
You can request a quote for 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.