ChemDiv1_011447
TL;DR: ChemDiv1_011447 (CAS 296789-85-0) is a chemical compound with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate
Also Known As: ChemDiv1_011447, A1694/0072266, BRD-K21575490-001-01-6, ethyl 5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-3-carboxylate, ethyl 5-hydroxy-1-phenyl-2-((4-phenylpiperazin-1-yl)methyl)-1H-indole-3-carboxylate
| Molecular Formula | C28H29N3O3 |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | 4.835 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.2209 |
| Heavy Atoms | 34 |
| Complexity | 1276.7577 |
Chemical Identifiers
| CAS Number | 296789-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_011447 (CAS 296789-85-0), with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol. IUPAC: ethyl 5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_011447
Property Insights of ChemDiv1_011447
The XLogP value of 4.835 indicates that ChemDiv1_011447 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_011447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_011447 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_011447?
The CAS number of ChemDiv1_011447 is 296789-85-0.
What is the molecular formula of ChemDiv1_011447?
The molecular formula of ChemDiv1_011447 is C28H29N3O3.
What is the molecular weight of ChemDiv1_011447?
The molecular weight of ChemDiv1_011447 is 455.22 g/mol.
Where can I buy ChemDiv1_011447?
You can request a quote for ChemDiv1_011447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011447?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.