Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-
TL;DR: Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- (CAS 6316-42-3) 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-[bis(2-methylpropoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-, o,o-bis(2-methylpropyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate, (1R)-1-[bis(2-methylpropoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine, (1S)-1-[bis(2-methylpropoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
| Molecular Formula | C18H36NO3PS |
|---|---|
| Molecular Weight | 377.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.21536 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 6316-42-3 |
|---|---|
| SMILES | CC(C)COP(=O)(OCC(C)C)SC[C@H]1CCCN2C1CCCC2 |
| InChIKey | ZOTLXGPSJZUYED-QNSVNVJESA-N |
Product Overview
Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- (CAS 6316-42-3), with molecular formula C18H36NO3PS and molecular weight 377.22 g/mol. IUPAC: (1S)-1-[bis(2-methylpropoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-
Property Insights of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-
The XLogP value of 4.3 indicates that Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- 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-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- 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-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-?
The CAS number of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- is 6316-42-3.
What is the molecular formula of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-?
The molecular formula of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- is C18H36NO3PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-?
The molecular weight of Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- is 377.22 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-?
You can request a quote for Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- 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-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(2-methylpropyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.