ChemDiv1_002620
TL;DR: ChemDiv1_002620 (CAS 296789-83-8) is a chemical compound with molecular formula C24H28BrN3O3 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate
Also Known As: ChemDiv1_002620, A1694/0072262, BRD-K29394933-001-02-7, ethyl 1-benzyl-6-bromo-5-hydroxy-2-((4-methylpiperazin-1-yl)methyl)-1H-indole-3-carboxylate, ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1H-indole-3-carboxylate
| Molecular Formula | C24H28BrN3O3 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 4.0818 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1314 |
| Heavy Atoms | 31 |
| Complexity | 1072.8582 |
Chemical Identifiers
| CAS Number | 296789-83-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C |
Product Overview
ChemDiv1_002620 (CAS 296789-83-8), with molecular formula C24H28BrN3O3 and molecular weight 485.13 g/mol. IUPAC: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002620
Property Insights of ChemDiv1_002620
The XLogP value of 4.0818 indicates that ChemDiv1_002620 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_002620 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002620 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_002620?
The CAS number of ChemDiv1_002620 is 296789-83-8.
What is the molecular formula of ChemDiv1_002620?
The molecular formula of ChemDiv1_002620 is C24H28BrN3O3.
What is the molecular weight of ChemDiv1_002620?
The molecular weight of ChemDiv1_002620 is 485.13 g/mol.
Where can I buy ChemDiv1_002620?
You can request a quote for ChemDiv1_002620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002620?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.