hycanthone N-methylcarbamate
TL;DR: hycanthone N-methylcarbamate (CAS 5434-08-2) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-methylcarbamate
Also Known As: Hycanthone N-methylcarbamate, 9H-Thioxanthen-9-one der., (1-{[2-(diethylamino)ethyl]amino}-9-oxo-9h-thioxanthen-4-yl)methyl methylcarbamate, [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl N-methylcarbamate, [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl N-methylcarbamate
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 5434-08-2 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC)SC3=CC=CC=C3C2=O |
| InChIKey | ZNZOVMOZODGFTR-UHFFFAOYSA-N |
Product Overview
hycanthone N-methylcarbamate (CAS 5434-08-2), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-methylcarbamate.
Chemical Property Profile of hycanthone N-methylcarbamate
Property Insights of hycanthone N-methylcarbamate
The XLogP value of 3.1 indicates that hycanthone N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for hycanthone N-methylcarbamate. Following Lipinski's Rule of Five, hycanthone N-methylcarbamate has 2 hydrogen bond donor(s) and 6 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 N-methylcarbamate?
The CAS number of hycanthone N-methylcarbamate is 5434-08-2.
What is the molecular formula of hycanthone N-methylcarbamate?
The molecular formula of hycanthone N-methylcarbamate is C22H27N3O3S.
What is the molecular weight of hycanthone N-methylcarbamate?
The molecular weight of hycanthone N-methylcarbamate is 413.18 g/mol.
Where can I buy hycanthone N-methylcarbamate?
You can request a quote for hycanthone N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hycanthone N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for hycanthone N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.