9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride
TL;DR: 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride (CAS 29529-49-5) 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-(diethylaminomethyl)-3-hydroxythioxanthen-9-one;hydrochloride
Also Known As: 3-Hydroxy-4-(diethylaminomethyl)thioxanthone hydrochloride, 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride, 3-Hydroxy-4-(diethylaminomethyl)-9-thioxanthenone hydrochloride, 4-(diethylaminomethyl)-3-hydroxythioxanthen-9-one hydrochloride, Thioxanthen-9-one, 4-[(diethylamino)methyl]-3-hydroxy-, hydrochloride
| Molecular Formula | C18H20ClNO2S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 4.3839 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09033 |
| Heavy Atoms | 23 |
| Complexity | 887.1988 |
Chemical Identifiers
| CAS Number | 29529-49-5 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC2=C1SC3=CC=CC=C3C2=O)O.Cl |
Product Overview
9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride (CAS 29529-49-5), with molecular formula C18H20ClNO2S and molecular weight 349.09 g/mol. IUPAC: 4-(diethylaminomethyl)-3-hydroxythioxanthen-9-one;hydrochloride.
Chemical Property Profile of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride
Property Insights of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride
The XLogP value of 4.3839 indicates that 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, 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 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride?
The CAS number of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride is 29529-49-5.
What is the molecular formula of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride?
The molecular formula of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride is C18H20ClNO2S.
What is the molecular weight of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride?
The molecular weight of 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride is 349.09 g/mol.
Where can I buy 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride?
You can request a quote for 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Thioxanthenone, 3-hydroxy-4-(diethylaminomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.