S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate
TL;DR: S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate (CAS 26075-94-5) is a chemical compound with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-oxo-6-sulfonatosulfanyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium
Also Known As: S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate
| Molecular Formula | C21H22N2O5S2 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 1.7157 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.09702 |
| Heavy Atoms | 30 |
| Complexity | 1135.9608 |
Chemical Identifiers
| CAS Number | 26075-94-5 |
|---|---|
| SMILES | C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)SS(=O)(=O)[O-] |
Product Overview
S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate (CAS 26075-94-5), with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol. IUPAC: 14-oxo-6-sulfonatosulfanyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium.
Chemical Property Profile of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate
Property Insights of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate
The XLogP value of 1.7157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate. Following Lipinski's Rule of Five, S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate has 0 hydrogen bond donor(s) and 6 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 S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate?
The CAS number of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate is 26075-94-5.
What is the molecular formula of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate?
The molecular formula of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate is C21H22N2O5S2.
What is the molecular weight of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate?
The molecular weight of S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate is 446.10 g/mol.
Where can I buy S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate?
You can request a quote for S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(10-Oxostrychnidin-19-ium-19-yl) sulfurothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.