ChemDiv1_003074
TL;DR: ChemDiv1_003074 (CAS 381193-40-4) 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 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate
Also Known As: ChemDiv1_003074, A2378/0100555, ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-((4-phenylpiperazin-1-yl)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate
| Molecular Formula | C24H28BrN3O3 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 4.4483 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1314 |
| Heavy Atoms | 31 |
| Complexity | 1072.8582 |
Chemical Identifiers
| CAS Number | 381193-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
ChemDiv1_003074 (CAS 381193-40-4), with molecular formula C24H28BrN3O3 and molecular weight 485.13 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_003074
Property Insights of ChemDiv1_003074
The XLogP value of 4.4483 indicates that ChemDiv1_003074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, ChemDiv1_003074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003074 has 0 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_003074?
The CAS number of ChemDiv1_003074 is 381193-40-4.
What is the molecular formula of ChemDiv1_003074?
The molecular formula of ChemDiv1_003074 is C24H28BrN3O3.
What is the molecular weight of ChemDiv1_003074?
The molecular weight of ChemDiv1_003074 is 485.13 g/mol.
Where can I buy ChemDiv1_003074?
You can request a quote for ChemDiv1_003074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003074?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.