Thiothixene Impurity 6
TL;DR: Thiothixene Impurity 6 (CAS 47681-53-8) is a chemical compound with molecular formula C23H29N3O3S2 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxothioxanthene-2-sulfonamide
Also Known As: Thiothixene Impurity 6, PDSP1_001056, PDSP2_001040, (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxo-thioxanthene-2-sulfonamide, (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxothioxanthene-2-sulfonamide
| Molecular Formula | C23H29N3O3S2 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 2.4862 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.16504 |
| Heavy Atoms | 31 |
| Complexity | 1134.5057 |
Chemical Identifiers
| CAS Number | 47681-53-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
Thiothixene Impurity 6 (CAS 47681-53-8), with molecular formula C23H29N3O3S2 and molecular weight 459.17 g/mol. IUPAC: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxothioxanthene-2-sulfonamide.
Chemical Property Profile of Thiothixene Impurity 6
Property Insights of Thiothixene Impurity 6
The XLogP value of 2.4862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiothixene Impurity 6. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiothixene Impurity 6. Following Lipinski's Rule of Five, Thiothixene Impurity 6 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 Thiothixene Impurity 6?
The CAS number of Thiothixene Impurity 6 is 47681-53-8.
What is the molecular formula of Thiothixene Impurity 6?
The molecular formula of Thiothixene Impurity 6 is C23H29N3O3S2.
What is the molecular weight of Thiothixene Impurity 6?
The molecular weight of Thiothixene Impurity 6 is 459.17 g/mol.
Where can I buy Thiothixene Impurity 6?
You can request a quote for Thiothixene Impurity 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiothixene Impurity 6?
Yes, KEHONG BIO provides custom synthesis services for Thiothixene Impurity 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.