ChemDiv1_012063
TL;DR: ChemDiv1_012063 (CAS 309735-06-6) is a chemical compound with molecular formula C29H31N3O3 and molecular weight 469.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_012063, A2254/0094967, BRD-K83869467-001-01-7, ethyl 5-hydroxy-2-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-1-phenyl-1H-indole-3-carboxylate, ethyl 5-hydroxy-1-phenyl-2-((4-(o-tolyl)piperazin-1-yl)methyl)-1H-indole-3-carboxylate
| Molecular Formula | C29H31N3O3 |
|---|---|
| Molecular Weight | 469.24 g/mol |
| LogP | 5.14342 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.23654 |
| Heavy Atoms | 35 |
| Complexity | 1338.3033 |
Chemical Identifiers
| CAS Number | 309735-06-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C |
Product Overview
ChemDiv1_012063 (CAS 309735-06-6), with molecular formula C29H31N3O3 and molecular weight 469.24 g/mol. IUPAC: ethyl 5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_012063
Property Insights of ChemDiv1_012063
The XLogP value of 5.14342 indicates that ChemDiv1_012063 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_012063 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012063 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_012063?
The CAS number of ChemDiv1_012063 is 309735-06-6.
What is the molecular formula of ChemDiv1_012063?
The molecular formula of ChemDiv1_012063 is C29H31N3O3.
What is the molecular weight of ChemDiv1_012063?
The molecular weight of ChemDiv1_012063 is 469.24 g/mol.
Where can I buy ChemDiv1_012063?
You can request a quote for ChemDiv1_012063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012063?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.