Spasdolsine
TL;DR: Spasdolsine (CAS 8067-15-0) is a chemical compound with molecular formula C73H101N10NaO25S3 and molecular weight 1636.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);methyl sulfate;5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione;trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
Also Known As: Spasdolsine, Spasdolsin, Spasdolsin [German], 10H-Phenothiazine-10-ethanaminium, N,N,N,alpha-tetramethyl-, methyl sulfate mixt. with5-phenyl-5-(1-piperidinyl)-1,3-bis(2-(1-piperidinyl)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2-hydroxy-1,2,3-propanetricarboxylate (1:2) and sodium ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulfonate, sodium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; 2-hydroxypropane-1,2,3-tricarboxylic acid; methyl sulfate; 5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
| Molecular Formula | C73H101N10NaO25S3 |
|---|---|
| Molecular Weight | 1636.60 g/mol |
| LogP | 1.53772 |
| Topological Polar Surface Area | 527.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 24 |
| Exact Mass | 1636.6 |
| Heavy Atoms | 112 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 8067-15-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.COS(=O)(=O)[O-].C1CCN(CC1)CCN2C(=O)C(C(=O)N(C2=O)CCN3CCCCC3)(C4=CC=CC=C4)N5CCCCC5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na+] |
| InChIKey | WUZAVNYVJZTHFS-UHFFFAOYSA-L |
Product Overview
Spasdolsine (CAS 8067-15-0), with molecular formula C73H101N10NaO25S3 and molecular weight 1636.60 g/mol. IUPAC: sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);methyl sulfate;5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione;trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium.
Chemical Property Profile of Spasdolsine
Property Insights of Spasdolsine
The XLogP value of 1.53772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spasdolsine. The TPSA of 527.0 Ų indicates high polarity, suggesting Spasdolsine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spasdolsine has 8 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spasdolsine?
The CAS number of Spasdolsine is 8067-15-0.
What is the molecular formula of Spasdolsine?
The molecular formula of Spasdolsine is C73H101N10NaO25S3.
What is the molecular weight of Spasdolsine?
The molecular weight of Spasdolsine is 1636.60 g/mol.
Where can I buy Spasdolsine?
You can request a quote for Spasdolsine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spasdolsine?
Yes, KEHONG BIO provides custom synthesis services for Spasdolsine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.