N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide
TL;DR: N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide (CAS 55142-77-3) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide
Also Known As: N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide, (Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane, INDOLE-3-CARBOXAMIDE, N-(2-(HYDROXY(3-INDOLYL)METHYLTHIO)ETHYL)-, (Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane [French], N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 55142-77-3 |
|---|---|
| SMILES | CSC(CNC(=O)C1=CNC2=CC=CC=C21)(C3=CNC4=CC=CC=C43)O |
| InChIKey | PJYCVBMPEOJLKW-UHFFFAOYSA-N |
Product Overview
N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide (CAS 55142-77-3), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide.
Chemical Property Profile of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide
Property Insights of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide has 4 hydrogen bond donor(s) and 3 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 N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide?
The CAS number of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide is 55142-77-3.
What is the molecular formula of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide?
The molecular formula of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide is C20H19N3O2S.
What is the molecular weight of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide?
The molecular weight of N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide is 365.12 g/mol.
Where can I buy N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide?
You can request a quote for N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.