羟甲硫蒽酮甲磺酸盐
TL;DR: 羟甲硫蒽酮甲磺酸盐 (CAS 35750-02-8) is a chemical compound with molecular formula C21H26N2O4S2 and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟甲硫蒽酮甲磺酸盐
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl methanesulfonate
Also Known As: Hycanthone methanesulfonate, KST-1A4158, KST-1A4159, (1-{[2-(diethylamino)ethyl]amino}-9-oxo-9h-thioxanthen-4-yl)methyl methanesulfonate, [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl methanesulfonate
| Molecular Formula | C21H26N2O4S2 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1334 |
| Heavy Atoms | 29 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 35750-02-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)COS(=O)(=O)C)SC3=CC=CC=C3C2=O |
| InChIKey | YYOFXKOUMJOLIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟甲硫蒽酮甲磺酸盐 (CAS 35750-02-8), with molecular formula C21H26N2O4S2 and molecular weight 434.13 g/mol. IUPAC: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl methanesulfonate.
Chemical Property Profile of 羟甲硫蒽酮甲磺酸盐
Property Insights of 羟甲硫蒽酮甲磺酸盐
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟甲硫蒽酮甲磺酸盐. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟甲硫蒽酮甲磺酸盐. Following Lipinski's Rule of Five, 羟甲硫蒽酮甲磺酸盐 has 1 hydrogen bond donor(s) and 7 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 羟甲硫蒽酮甲磺酸盐?
The CAS number of 羟甲硫蒽酮甲磺酸盐 is 35750-02-8.
What is the molecular formula of 羟甲硫蒽酮甲磺酸盐?
The molecular formula of 羟甲硫蒽酮甲磺酸盐 is C21H26N2O4S2.
What is the molecular weight of 羟甲硫蒽酮甲磺酸盐?
The molecular weight of 羟甲硫蒽酮甲磺酸盐 is 434.13 g/mol.
Where can I buy 羟甲硫蒽酮甲磺酸盐?
You can request a quote for 羟甲硫蒽酮甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟甲硫蒽酮甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 羟甲硫蒽酮甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.