Thioxanthen-9-one, acetate (ester)
TL;DR: Thioxanthen-9-one, acetate (ester) (CAS 3612-72-4) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 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 acetate
Also Known As: Thioxanthen-9-one, acetate (ester), [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl, [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl acetate, (1-{[2-(Diethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-4-yl)methyl acetate, 9H-Thioxanthen-9-one, 4-[(acetyloxy)methyl]-1-[[2- (diethylamino)ethyl]amino]-
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 3612-72-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)C)SC3=CC=CC=C3C2=O |
| InChIKey | YBQVWCLNKFVHCN-UHFFFAOYSA-N |
Product Overview
Thioxanthen-9-one, acetate (ester) (CAS 3612-72-4), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl acetate.
Chemical Property Profile of Thioxanthen-9-one, acetate (ester)
Property Insights of Thioxanthen-9-one, acetate (ester)
The XLogP value of 3.3 indicates that Thioxanthen-9-one, acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioxanthen-9-one, acetate (ester). Following Lipinski's Rule of Five, Thioxanthen-9-one, acetate (ester) has 1 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 Thioxanthen-9-one, acetate (ester)?
The CAS number of Thioxanthen-9-one, acetate (ester) is 3612-72-4.
What is the molecular formula of Thioxanthen-9-one, acetate (ester)?
The molecular formula of Thioxanthen-9-one, acetate (ester) is C22H26N2O3S.
What is the molecular weight of Thioxanthen-9-one, acetate (ester)?
The molecular weight of Thioxanthen-9-one, acetate (ester) is 398.17 g/mol.
Where can I buy Thioxanthen-9-one, acetate (ester)?
You can request a quote for Thioxanthen-9-one, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxanthen-9-one, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Thioxanthen-9-one, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.