Hycanthone Ethansulfonate
TL;DR: Hycanthone Ethansulfonate (CAS 64265-18-5) is a chemical compound with molecular formula C22H30N2O5S2 and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one;ethanesulfonic acid
Also Known As: Hycanthone Ethansulfonate, HYCANTHONE ETHANESULFONATE, Ethanesulfonic acid, compd. with 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one (1:1), 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; ethanesulfonic acid, Ethanesulfonic acid, compd. with 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-9H-thioxanthen-9-one (1:1)
| Molecular Formula | C22H30N2O5S2 |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 3.5548 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.1596 |
| Heavy Atoms | 31 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 64265-18-5 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CCS(=O)(=O)O |
| InChIKey | MFJJATAOPXFYNI-UHFFFAOYSA-N |
Product Overview
Hycanthone Ethansulfonate (CAS 64265-18-5), with molecular formula C22H30N2O5S2 and molecular weight 466.16 g/mol. IUPAC: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one;ethanesulfonic acid.
Chemical Property Profile of Hycanthone Ethansulfonate
Property Insights of Hycanthone Ethansulfonate
The XLogP value of 3.5548 indicates that Hycanthone Ethansulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Hycanthone Ethansulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hycanthone Ethansulfonate has 3 hydrogen bond donor(s) and 8 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 Ethansulfonate?
The CAS number of Hycanthone Ethansulfonate is 64265-18-5.
What is the molecular formula of Hycanthone Ethansulfonate?
The molecular formula of Hycanthone Ethansulfonate is C22H30N2O5S2.
What is the molecular weight of Hycanthone Ethansulfonate?
The molecular weight of Hycanthone Ethansulfonate is 466.16 g/mol.
Where can I buy Hycanthone Ethansulfonate?
You can request a quote for Hycanthone Ethansulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hycanthone Ethansulfonate?
Yes, KEHONG BIO provides custom synthesis services for Hycanthone Ethansulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.