ChemDiv1_002576
TL;DR: ChemDiv1_002576 (CAS 296773-86-9) is a chemical compound with molecular formula C23H26BrN3O3 and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_002576, A1661/0070794, ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate, 6-Bromo-5-hydroxy-2-(4-methyl-piperazin-1-ylmethyl)-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
| Molecular Formula | C23H26BrN3O3 |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.0227 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.11575 |
| Heavy Atoms | 30 |
| Complexity | 1056.7357 |
Chemical Identifiers
| CAS Number | 296773-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C |
Product Overview
ChemDiv1_002576 (CAS 296773-86-9), with molecular formula C23H26BrN3O3 and molecular weight 471.12 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002576
Property Insights of ChemDiv1_002576
The XLogP value of 4.0227 indicates that ChemDiv1_002576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, ChemDiv1_002576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002576 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_002576?
The CAS number of ChemDiv1_002576 is 296773-86-9.
What is the molecular formula of ChemDiv1_002576?
The molecular formula of ChemDiv1_002576 is C23H26BrN3O3.
What is the molecular weight of ChemDiv1_002576?
The molecular weight of ChemDiv1_002576 is 471.12 g/mol.
Where can I buy ChemDiv1_002576?
You can request a quote for ChemDiv1_002576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002576?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.