桂哌酸
TL;DR: 桂哌酸 (CAS 54063-23-9) is a chemical compound with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
桂哌酸
2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
Also Known As: Cinepazic acid, Acidumcinepazicum, 4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid, {4-[3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-ENOYL]PIPERAZIN-1-YL}ACETIC ACID, 1-Piperazineaceticacid, 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-
| Molecular Formula | C18H24N2O6 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.16342 |
| Heavy Atoms | 26 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 54063-23-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)O |
| InChIKey | XDCDHIJFRRLVST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
桂哌酸 (CAS 54063-23-9), with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol. IUPAC: 2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid.
Chemical Property Profile of 桂哌酸
Property Insights of 桂哌酸
The XLogP value of -1.2 indicates that 桂哌酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 桂哌酸. Following Lipinski's Rule of Five, 桂哌酸 has 1 hydrogen bond donor(s) and 7 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 桂哌酸?
The CAS number of 桂哌酸 is 54063-23-9.
What is the molecular formula of 桂哌酸?
The molecular formula of 桂哌酸 is C18H24N2O6.
What is the molecular weight of 桂哌酸?
The molecular weight of 桂哌酸 is 364.16 g/mol.
Where can I buy 桂哌酸?
You can request a quote for 桂哌酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 桂哌酸?
Yes, KEHONG BIO provides custom synthesis services for 桂哌酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.