ChemDiv1_011289
TL;DR: ChemDiv1_011289 (CAS 398470-30-9) is a chemical compound with molecular formula C29H30BrN3O3 and molecular weight 547.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_011289, BRD-K94046695-001-01-3, ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-phenyl-1H-indole-3-carboxylate, ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-phenylindole-3-carboxylate, ethyl 2-((4-benzylpiperazin-1-yl)methyl)-6-bromo-5-hydroxy-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C29H30BrN3O3 |
|---|---|
| Molecular Weight | 547.15 g/mol |
| LogP | 5.5931 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.14703 |
| Heavy Atoms | 36 |
| Complexity | 1346.9596 |
Chemical Identifiers
| CAS Number | 398470-30-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_011289 (CAS 398470-30-9), with molecular formula C29H30BrN3O3 and molecular weight 547.15 g/mol. IUPAC: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_011289
Property Insights of ChemDiv1_011289
The XLogP value of 5.5931 indicates that ChemDiv1_011289 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_011289 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_011289 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011289?
The CAS number of ChemDiv1_011289 is 398470-30-9.
What is the molecular formula of ChemDiv1_011289?
The molecular formula of ChemDiv1_011289 is C29H30BrN3O3.
What is the molecular weight of ChemDiv1_011289?
The molecular weight of ChemDiv1_011289 is 547.15 g/mol.
Where can I buy ChemDiv1_011289?
You can request a quote for ChemDiv1_011289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011289?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.