Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate
TL;DR: Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate (CAS 88461-72-7) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate
Also Known As: 1,2-dimethyl-3-ethoxycarbonyl-5-tosyloxyindole, ethyl 1,2-dimethyl-5-(tosyloxy)-1H-indole-3-carboxylate, ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate, ethyl 1,2-dimethyl-5-{[(4-methylphenyl)sulfonyl]oxy}-1H-indole-3-carboxylate
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.73954 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 1111.4747 |
Chemical Identifiers
| CAS Number | 88461-72-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)C |
Product Overview
Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate (CAS 88461-72-7), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate.
Chemical Property Profile of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate
Property Insights of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate
The XLogP value of 3.73954 indicates that Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate?
The CAS number of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate is 88461-72-7.
What is the molecular formula of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate?
The molecular formula of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate is C20H21NO5S.
What is the molecular weight of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate?
The molecular weight of Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate is 387.11 g/mol.
Where can I buy Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate?
You can request a quote for Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-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 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2-dimethyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.