Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester
TL;DR: Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester (CAS 6319-72-8) is a chemical compound with molecular formula C18H36NO3PS and molecular weight 377.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester, o,o-dibutyl s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate, (1S)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
| Molecular Formula | C18H36NO3PS |
|---|---|
| Molecular Weight | 377.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.21536 |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 6319-72-8 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)SC[C@H]1CCCN2C1CCCC2 |
| InChIKey | KZIOEMZRHQTBTC-QNSVNVJESA-N |
Product Overview
Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester (CAS 6319-72-8), with molecular formula C18H36NO3PS and molecular weight 377.22 g/mol. IUPAC: (1S)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
Chemical Property Profile of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester
Property Insights of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester
The XLogP value of 4.1 indicates that Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester has 0 hydrogen bond donor(s) and 5 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 Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester?
The CAS number of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester is 6319-72-8.
What is the molecular formula of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester is C18H36NO3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester is 377.22 g/mol.
Where can I buy Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dibutyl S-(((1S,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.