![s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate structure](/static/products/7735/7735-33-3.webp)
s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate
TL;DR: s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate (CAS 7735-33-3) 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,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate, Phosphorothioic acid, S-((octahydro-2H-quinolizin-1-yl)methyl) O,O-dipentyl ester, (1S-cis)-, (1R,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine, (1S,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
| Molecular Formula | C20H40NO3PS |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 405.24664 |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 7735-33-3 |
|---|---|
| SMILES | CCCCCOP(=O)(OCCCCC)SC[C@H]1CCCN2[C@@H]1CCCC2 |
| InChIKey | VMRXTDUIULCYOS-WOJBJXKFSA-N |
Product Overview
s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate (CAS 7735-33-3), with molecular formula C20H40NO3PS and molecular weight 405.25 g/mol. IUPAC: (1S,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
Chemical Property Profile of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate
Property Insights of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate
The XLogP value of 5.2 indicates that s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl 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 s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate. Following Lipinski's Rule of Five, s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate?
The CAS number of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate is 7735-33-3.
What is the molecular formula of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate?
The molecular formula of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate is C20H40NO3PS.
What is the molecular weight of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate?
The molecular weight of s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate is 405.25 g/mol.
Where can I buy s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate?
You can request a quote for s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.