Antituberculosis agent-3
TL;DR: Antituberculosis agent-3 (CAS 369606-71-3) is a chemical compound with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate
Also Known As: Antituberculosis agent-3, ChemDiv3_006576, IDI1_024486, AH-262/34335013, ethyl 5-acetoxy-6-bromo-2-((carbamimidoylthio)methyl)-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C21H20BrN3O4S |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 4.62167 |
| Topological Polar Surface Area | 107.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0358 |
| Heavy Atoms | 30 |
| Complexity | 1128.477 |
Chemical Identifiers
| CAS Number | 369606-71-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N |
Product Overview
Antituberculosis agent-3 (CAS 369606-71-3), with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate.
Chemical Property Profile of Antituberculosis agent-3
Property Insights of Antituberculosis agent-3
The XLogP value of 4.62167 indicates that Antituberculosis agent-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Antituberculosis agent-3. Following Lipinski's Rule of Five, Antituberculosis agent-3 has 2 hydrogen bond donor(s) and 6 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 Antituberculosis agent-3?
The CAS number of Antituberculosis agent-3 is 369606-71-3.
What is the molecular formula of Antituberculosis agent-3?
The molecular formula of Antituberculosis agent-3 is C21H20BrN3O4S.
What is the molecular weight of Antituberculosis agent-3?
The molecular weight of Antituberculosis agent-3 is 489.04 g/mol.
Where can I buy Antituberculosis agent-3?
You can request a quote for Antituberculosis agent-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antituberculosis agent-3?
Yes, KEHONG BIO provides custom synthesis services for Antituberculosis agent-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.