Lucanthone N-oxide monomethanesulfonate
TL;DR: Lucanthone N-oxide monomethanesulfonate (CAS 64345-84-2) is a chemical compound with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid
Also Known As: Lucanthone N-oxide monomethanesulfonate, N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid, 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-, N-oxide, monomethanesulfonate, 1-{[2-(diethylnitroryl)ethyl]amino}-4-methyl-9H-thioxanthen-9-one methanesulfonate (1:1), N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide; methanesulfonic acid
| Molecular Formula | C21H28N2O5S2 |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 3.99342 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.14395 |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 64345-84-2 |
|---|---|
| SMILES | CC[N+](CC)(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)[O-].CS(=O)(=O)O |
| InChIKey | XYAVPKDGOAVKLY-UHFFFAOYSA-N |
Product Overview
Lucanthone N-oxide monomethanesulfonate (CAS 64345-84-2), with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol. IUPAC: N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid.
Chemical Property Profile of Lucanthone N-oxide monomethanesulfonate
Property Insights of Lucanthone N-oxide monomethanesulfonate
The XLogP value of 3.99342 indicates that Lucanthone N-oxide monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lucanthone N-oxide monomethanesulfonate. Following Lipinski's Rule of Five, Lucanthone N-oxide monomethanesulfonate has 2 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 Lucanthone N-oxide monomethanesulfonate?
The CAS number of Lucanthone N-oxide monomethanesulfonate is 64345-84-2.
What is the molecular formula of Lucanthone N-oxide monomethanesulfonate?
The molecular formula of Lucanthone N-oxide monomethanesulfonate is C21H28N2O5S2.
What is the molecular weight of Lucanthone N-oxide monomethanesulfonate?
The molecular weight of Lucanthone N-oxide monomethanesulfonate is 452.14 g/mol.
Where can I buy Lucanthone N-oxide monomethanesulfonate?
You can request a quote for Lucanthone N-oxide monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lucanthone N-oxide monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Lucanthone N-oxide monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.