N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride
TL;DR: N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride (CAS 112041-58-4) is a chemical compound with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-9-oxothioxanthene-4-carboxamide;hydrochloride
Also Known As: N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride, N-(2-dimethylaminoethyl)-9-oxo-thioxanthene-4-carboxamide Hydrochloride, N-(2-dimethylaminoethyl)-9-oxothioxanthene-4-carboxamide hydrochloride, N-[2-(Dimethylamino)ethyl]-9-oxo-9H-thioxanthene-4-carboxamide--hydrogen chloride (1/1)
| Molecular Formula | C18H19ClN2O2S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.1279 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.08557 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 112041-58-4 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CC=CC2=C1SC3=CC=CC=C3C2=O.Cl |
| InChIKey | MPTREYBYEDAQCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride (CAS 112041-58-4), with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-9-oxothioxanthene-4-carboxamide;hydrochloride.
Chemical Property Profile of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride
Property Insights of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride
The XLogP value of 3.1279 indicates that N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride. Following Lipinski's Rule of Five, N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride has 2 hydrogen bond donor(s) and 4 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 N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride?
The CAS number of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride is 112041-58-4.
What is the molecular formula of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride?
The molecular formula of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride is C18H19ClN2O2S.
What is the molecular weight of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride?
The molecular weight of N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride is 362.09 g/mol.
Where can I buy N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride?
You can request a quote for N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Dimethylaminoethyl)-9-oxo-9H-thioxanthene-4-carboxamide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.