ChemDiv1_002815
TL;DR: ChemDiv1_002815 (CAS 330556-72-4) is a chemical compound with molecular formula C25H27BrN4O3 and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-methoxy-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_002815, A1099/0051618, ethyl 6-bromo-2-((4-(cyanomethyl)piperazin-1-yl)methyl)-5-methoxy-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-methoxy-1-phenylindole-3-carboxylate, ethyl 6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-methoxy-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C25H27BrN4O3 |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 4.21948 |
| Topological Polar Surface Area | 70.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.12665 |
| Heavy Atoms | 33 |
| Complexity | 1178.0656 |
Chemical Identifiers
| CAS Number | 330556-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)CC#N |
Product Overview
ChemDiv1_002815 (CAS 330556-72-4), with molecular formula C25H27BrN4O3 and molecular weight 510.13 g/mol. IUPAC: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-methoxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002815
Property Insights of ChemDiv1_002815
The XLogP value of 4.21948 indicates that ChemDiv1_002815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002815. Following Lipinski's Rule of Five, ChemDiv1_002815 has 0 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 ChemDiv1_002815?
The CAS number of ChemDiv1_002815 is 330556-72-4.
What is the molecular formula of ChemDiv1_002815?
The molecular formula of ChemDiv1_002815 is C25H27BrN4O3.
What is the molecular weight of ChemDiv1_002815?
The molecular weight of ChemDiv1_002815 is 510.13 g/mol.
Where can I buy ChemDiv1_002815?
You can request a quote for ChemDiv1_002815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002815?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.