羟坎松
TL;DR: 羟坎松 (CAS 3105-97-3) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟坎松
1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Also Known As: hycanthone, Hycanthon, Hicantona, Hycanthonum, Lucanthone metabolite
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
| Melting Point | 213.1 to 102.8 °C |
| Solubility | Highly soluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 3105-97-3 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O |
| InChIKey | MFZWMTSUNYWVBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟坎松 (CAS 3105-97-3), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one.
Chemical Property Profile of 羟坎松
Property Insights of 羟坎松
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟坎松. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟坎松. Following Lipinski's Rule of Five, Hycanthone has 2 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 Hycanthone?
The CAS number of Hycanthone is 3105-97-3.
What is the molecular formula of Hycanthone?
The molecular formula of Hycanthone is C20H24N2O2S.
What is the molecular weight of Hycanthone?
The molecular weight of Hycanthone is 356.16 g/mol.
Where can I buy Hycanthone?
You can request a quote for Hycanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hycanthone?
Yes, KEHONG BIO provides custom synthesis services for Hycanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.