桂哌齊特
TL;DR: 桂哌齊特 (CAS 23887-46-9) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
桂哌齊特
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: Cinepazide, Cinepazime, Cinepazidum [INN-Latin], Cinepazida [INN-Spanish], Cinepazide [INN:BAN:DCF]
| Molecular Formula | C22H31N3O5 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.22638 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 23887-46-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3 |
| InChIKey | RCUDFXMNPQNBDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
桂哌齊特 (CAS 23887-46-9), with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol. IUPAC: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 桂哌齊特
Property Insights of 桂哌齊特
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 桂哌齊特. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 桂哌齊特. Following Lipinski's Rule of Five, 桂哌齊特 has 0 hydrogen bond donor(s) and 6 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 桂哌齊特?
The CAS number of 桂哌齊特 is 23887-46-9.
What is the molecular formula of 桂哌齊特?
The molecular formula of 桂哌齊特 is C22H31N3O5.
What is the molecular weight of 桂哌齊特?
The molecular weight of 桂哌齊特 is 417.23 g/mol.
Where can I buy 桂哌齊特?
You can request a quote for 桂哌齊特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 桂哌齊特?
Yes, KEHONG BIO provides custom synthesis services for 桂哌齊特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.