9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride
TL;DR: 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride (CAS 118825-64-2) is a chemical compound with molecular formula C18H20ClNO2S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(methylamino)butoxy]thioxanthen-9-one;hydrochloride
Also Known As: 4-(4-Methylaminobutoxy)thioxanthone hydrochloride, 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride, 4-(4-(Methylamino)butoxy)-9H-thioxanthen-9-one hydrochloride, 4-[4-(methylamino)butoxy]thioxanthen-9-one hydrochloride, 4-[4-(methylamino)butoxy]thioxanthen-9-one,hydrochloride
| Molecular Formula | C18H20ClNO2S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 4.2149 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.09033 |
| Heavy Atoms | 23 |
| Complexity | 847.1592 |
Chemical Identifiers
| CAS Number | 118825-64-2 |
|---|---|
| SMILES | CNCCCCOC1=CC=CC2=C1SC3=CC=CC=C3C2=O.Cl |
Product Overview
9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride (CAS 118825-64-2), with molecular formula C18H20ClNO2S and molecular weight 349.09 g/mol. IUPAC: 4-[4-(methylamino)butoxy]thioxanthen-9-one;hydrochloride.
Chemical Property Profile of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride
Property Insights of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride
The XLogP value of 4.2149 indicates that 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride has 1 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 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride?
The CAS number of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride is 118825-64-2.
What is the molecular formula of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride?
The molecular formula of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride is C18H20ClNO2S.
What is the molecular weight of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride?
The molecular weight of 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride is 349.09 g/mol.
Where can I buy 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride?
You can request a quote for 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Thioxanthen-9-one, 4-(4-(methylamino)butoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.