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Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate
TL;DR: Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate (CAS 20721-18-0) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-amino-5-chlorophenyl)sulfanyl-1H-indole-2-carboxylate
Also Known As: ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate, 3-Chlor-4-hydroxy-5-methoxy-benzylalkohol, Ethyl 3-(2-amino-5-chlorophenylthio)indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 3-((2-amino-5-chlorophenyl)thio)-, ethyl ester, Ethyl 3-((2-amino-5-chlorophenyl)thio)-1H-indole-2-carboxylate
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 20721-18-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)SC3=C(C=CC(=C3)Cl)N |
| InChIKey | JOAZAGOUKKSIPI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate (CAS 20721-18-0), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: ethyl 3-(2-amino-5-chlorophenyl)sulfanyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate
Property Insights of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate
The XLogP value of 4.6 indicates that Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate has 2 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-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate?
The CAS number of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate is 20721-18-0.
What is the molecular formula of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate?
The molecular formula of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate is C17H15ClN2O2S.
What is the molecular weight of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate?
The molecular weight of Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate is 346.05 g/mol.
Where can I buy Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate?
You can request a quote for Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-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-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.