ChemDiv1_018271
TL;DR: ChemDiv1_018271 (CAS 361369-54-2) is a chemical compound with molecular formula C26H27BrN4O4 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_018271, A2354/0099419, ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-phenyl-1H-indole-3-carboxylate, 6-bromo-2-{[4-(cyanomethyl)piperazinyl]methyl}-3-(ethoxycarbonyl)-1-phenylindo l-5-yl acetate, ethyl 5-acetoxy-6-bromo-2-((4-(cyanomethyl)piperazin-1-yl)methyl)-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C26H27BrN4O4 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 4.13618 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1216 |
| Heavy Atoms | 35 |
| Complexity | 1274.2291 |
Chemical Identifiers
| CAS Number | 361369-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCN(CC4)CC#N |
Product Overview
ChemDiv1_018271 (CAS 361369-54-2), with molecular formula C26H27BrN4O4 and molecular weight 538.12 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_018271
Property Insights of ChemDiv1_018271
The XLogP value of 4.13618 indicates that ChemDiv1_018271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018271. Following Lipinski's Rule of Five, ChemDiv1_018271 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018271?
The CAS number of ChemDiv1_018271 is 361369-54-2.
What is the molecular formula of ChemDiv1_018271?
The molecular formula of ChemDiv1_018271 is C26H27BrN4O4.
What is the molecular weight of ChemDiv1_018271?
The molecular weight of ChemDiv1_018271 is 538.12 g/mol.
Where can I buy ChemDiv1_018271?
You can request a quote for ChemDiv1_018271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018271?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.