A1897/0079626
TL;DR: A1897/0079626 (CAS 330557-02-3) is a chemical compound with molecular formula C24H28BrN3O4 and molecular weight 501.13 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-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate
Also Known As: A1897/0079626, BRD-K50484401-001-08-8, BRD-K50484401-001-09-6, 6-Bromo-5-hydroxy-2-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-1-phenyl-1H-indole-3-carboxylic acid ethyl ester, ethyl 6-bromo-5-hydroxy-2-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C24H28BrN3O4 |
|---|---|
| Molecular Weight | 501.13 g/mol |
| LogP | 3.3852 |
| Topological Polar Surface Area | 78.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.1263 |
| Heavy Atoms | 32 |
| Complexity | 1091.8125 |
Chemical Identifiers
| CAS Number | 330557-02-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)CCO |
Product Overview
A1897/0079626 (CAS 330557-02-3), with molecular formula C24H28BrN3O4 and molecular weight 501.13 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of A1897/0079626
Property Insights of A1897/0079626
The XLogP value of 3.3852 indicates that A1897/0079626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A1897/0079626. Following Lipinski's Rule of Five, A1897/0079626 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1897/0079626?
The CAS number of A1897/0079626 is 330557-02-3.
What is the molecular formula of A1897/0079626?
The molecular formula of A1897/0079626 is C24H28BrN3O4.
What is the molecular weight of A1897/0079626?
The molecular weight of A1897/0079626 is 501.13 g/mol.
Where can I buy A1897/0079626?
You can request a quote for A1897/0079626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1897/0079626?
Yes, KEHONG BIO provides custom synthesis services for A1897/0079626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.