ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate
TL;DR: ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate (CAS 61394-70-5) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate
Also Known As: ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate, ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylat, Ethyl 3-methyl-3-(methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-5-carboxylate, 1H-INDOLE-5-CARBOXYLICACID, 2,3-DIHYDRO-3-METHYL-3-(METHYLTHIO)-2-OXO-, ETHYL ESTER, RefChem:343473
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 61394-70-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)NC(=O)C2(C)SC |
| InChIKey | QDISKMOXSSTFNR-UHFFFAOYSA-N |
Product Overview
ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate (CAS 61394-70-5), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate.
Chemical Property Profile of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate
Property Insights of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate 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 ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate?
The CAS number of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate is 61394-70-5.
What is the molecular formula of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate?
The molecular formula of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate is C13H15NO3S.
What is the molecular weight of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate?
The molecular weight of ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate is 265.08 g/mol.
Where can I buy ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate?
You can request a quote for ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-3-methylsulfanyl-2-oxo-1H-indole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.