O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo
TL;DR: O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo (CAS 82979-14-4) is a chemical compound with molecular formula C13H21NO2S2 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl] methylsulfanylmethanethioate
Also Known As: O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo, O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl] methylsulfanylmethanethioate, S-Methyl O-[(5R,7R,8aR)-3-oxo-5-propyloctahydroindolizin-7-yl] carbonodithioate
| Molecular Formula | C13H21NO2S2 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.10138 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 82979-14-4 |
|---|---|
| SMILES | CCC[C@@H]1C[C@H](C[C@@H]2N1C(=O)CC2)OC(=S)SC |
| InChIKey | ZQHBKQRCDSJTCO-GMTAPVOTSA-N |
Product Overview
O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo (CAS 82979-14-4), with molecular formula C13H21NO2S2 and molecular weight 287.10 g/mol. IUPAC: O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl] methylsulfanylmethanethioate.
Chemical Property Profile of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo
Property Insights of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo
The XLogP value of 3.2 indicates that O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo. Following Lipinski's Rule of Five, O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo has 0 hydrogen bond donor(s) and 4 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-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo?
The CAS number of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo is 82979-14-4.
What is the molecular formula of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo?
The molecular formula of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo is C13H21NO2S2.
What is the molecular weight of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo?
The molecular weight of O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo is 287.10 g/mol.
Where can I buy O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo?
You can request a quote for O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo?
Yes, KEHONG BIO provides custom synthesis services for O-[(5R,7R,8aR)-3-oxo-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.