![o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate structure](/static/products/6316/6316-59-2.webp)
o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate
TL;DR: o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate (CAS 6316-59-2) is a chemical compound with molecular formula C20H40NO3PS and molecular weight 405.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[bis(3-methylbutoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate, (1S)-1-[bis(3-methylbutoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine, (1R)-1-[bis(3-methylbutoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine, Phosphorothioic acid, O,O-bis(3-methylbutyl) S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1S-cis)-
| Molecular Formula | C20H40NO3PS |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 405.24664 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 6316-59-2 |
|---|---|
| SMILES | CC(C)CCOP(=O)(OCCC(C)C)SC[C@H]1CCCN2C1CCCC2 |
| InChIKey | GSPYTLXMGSZKMB-FIWHBWSRSA-N |
Product Overview
o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate (CAS 6316-59-2), with molecular formula C20H40NO3PS and molecular weight 405.25 g/mol. IUPAC: (1S)-1-[bis(3-methylbutoxy)phosphorylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
Chemical Property Profile of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate
Property Insights of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate
The XLogP value of 5.0 indicates that o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate 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 o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate. Following Lipinski's Rule of Five, o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate 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 o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate?
The CAS number of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate is 6316-59-2.
What is the molecular formula of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate?
The molecular formula of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate is C20H40NO3PS.
What is the molecular weight of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate?
The molecular weight of o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate is 405.25 g/mol.
Where can I buy o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate?
You can request a quote for o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for o,o-bis(3-methylbutyl) s-[(1s)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.