ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate
TL;DR: ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate (CAS 77084-52-7) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methyl-9-oxothioxanthene-3-carboxylate
Also Known As: EINECS 278-606-1, Ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate, ethyl 7-methyl-9-oxothioxanthene-3-carboxylate, 7-Methyl-9-oxo-9H-thioxanthene-3-carboxylic acid ethyl ester, 9H-Thioxanthene-3-carboxylicacid, 7-methyl-9-oxo-, ethyl ester
| Molecular Formula | C17H14O3S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.89982 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.06638 |
| Heavy Atoms | 21 |
| Complexity | 908.93665 |
Chemical Identifiers
| CAS Number | 77084-52-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC(=C3)C |
Product Overview
ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate (CAS 77084-52-7), with molecular formula C17H14O3S and molecular weight 298.07 g/mol. IUPAC: ethyl 7-methyl-9-oxothioxanthene-3-carboxylate.
Chemical Property Profile of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate
Property Insights of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate
The XLogP value of 3.89982 indicates that ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate has 0 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 ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate?
The CAS number of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate is 77084-52-7.
What is the molecular formula of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate?
The molecular formula of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate is C17H14O3S.
What is the molecular weight of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate?
The molecular weight of ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate is 298.07 g/mol.
Where can I buy ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate?
You can request a quote for ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.