ChemDiv1_011762
TL;DR: ChemDiv1_011762 (CAS 116736-15-3) is a chemical compound with molecular formula C24H20BrNO3S and molecular weight 481.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_011762, A2049/0086175, ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
| Molecular Formula | C24H20BrNO3S |
|---|---|
| Molecular Weight | 481.03 g/mol |
| LogP | 6.5676 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.03473 |
| Heavy Atoms | 30 |
| Complexity | 1189.7832 |
Chemical Identifiers
| CAS Number | 116736-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4 |
Product Overview
ChemDiv1_011762 (CAS 116736-15-3), with molecular formula C24H20BrNO3S and molecular weight 481.03 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_011762
Property Insights of ChemDiv1_011762
The XLogP value of 6.5676 indicates that ChemDiv1_011762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, ChemDiv1_011762 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_011762 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011762?
The CAS number of ChemDiv1_011762 is 116736-15-3.
What is the molecular formula of ChemDiv1_011762?
The molecular formula of ChemDiv1_011762 is C24H20BrNO3S.
What is the molecular weight of ChemDiv1_011762?
The molecular weight of ChemDiv1_011762 is 481.03 g/mol.
Where can I buy ChemDiv1_011762?
You can request a quote for ChemDiv1_011762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011762?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.