Methyl 9-oxo-9H-thioxanthene-1-carboxylate
TL;DR: Methyl 9-oxo-9H-thioxanthene-1-carboxylate (CAS 77084-33-4) is a chemical compound with molecular formula C15H10O3S and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-oxothioxanthene-1-carboxylate
Also Known As: Methyl 9-oxo-9H-thioxanthene-1-carboxylate, EINECS 278-605-6, methyl 9-oxothioxanthene-1-carboxylate, methyl9-oxo-9H-thioxanthene-1-carboxylate, 9-Oxo-9H-thioxanthene-1-carboxylic acid methyl ester
| Molecular Formula | C15H10O3S |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 3.2013 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.03506 |
| Heavy Atoms | 19 |
| Complexity | 848.7535 |
Chemical Identifiers
| CAS Number | 77084-33-4 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O |
Product Overview
Methyl 9-oxo-9H-thioxanthene-1-carboxylate (CAS 77084-33-4), with molecular formula C15H10O3S and molecular weight 270.04 g/mol. IUPAC: methyl 9-oxothioxanthene-1-carboxylate.
Chemical Property Profile of Methyl 9-oxo-9H-thioxanthene-1-carboxylate
Property Insights of Methyl 9-oxo-9H-thioxanthene-1-carboxylate
The XLogP value of 3.2013 indicates that Methyl 9-oxo-9H-thioxanthene-1-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, Methyl 9-oxo-9H-thioxanthene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-oxo-9H-thioxanthene-1-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 Methyl 9-oxo-9H-thioxanthene-1-carboxylate?
The CAS number of Methyl 9-oxo-9H-thioxanthene-1-carboxylate is 77084-33-4.
What is the molecular formula of Methyl 9-oxo-9H-thioxanthene-1-carboxylate?
The molecular formula of Methyl 9-oxo-9H-thioxanthene-1-carboxylate is C15H10O3S.
What is the molecular weight of Methyl 9-oxo-9H-thioxanthene-1-carboxylate?
The molecular weight of Methyl 9-oxo-9H-thioxanthene-1-carboxylate is 270.04 g/mol.
Where can I buy Methyl 9-oxo-9H-thioxanthene-1-carboxylate?
You can request a quote for Methyl 9-oxo-9H-thioxanthene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-oxo-9H-thioxanthene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-oxo-9H-thioxanthene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.