ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate
TL;DR: ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate (CAS 26065-16-7) is a chemical compound with molecular formula C19H19NO3S and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: Abidol Impurity 53, A0700/0032673, 1-methyl-2-phenylmercaptomethyl-3-carbethoxy,5-hydroxyindole, ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
| Molecular Formula | C19H19NO3S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 4.3529 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10855 |
| Heavy Atoms | 24 |
| Complexity | 871.19934 |
Chemical Identifiers
| CAS Number | 26065-16-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)CSC3=CC=CC=C3 |
Product Overview
ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate (CAS 26065-16-7), with molecular formula C19H19NO3S and molecular weight 341.11 g/mol. IUPAC: ethyl 5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate
Property Insights of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate
The XLogP value of 4.3529 indicates that ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-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 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate?
The CAS number of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate is 26065-16-7.
What is the molecular formula of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate is C19H19NO3S.
What is the molecular weight of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate is 341.11 g/mol.
Where can I buy ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-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 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.