Cinepaxadil
TL;DR: Cinepaxadil (CAS 69118-25-8) is a chemical compound with molecular formula C29H36N2O9 and molecular weight 556.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: Cinepaxadil, (E)-1-[4-[3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy], 1-(4-{3-[(8-ACETYL-2,3-DIHYDRO-1,4-BENZODIOXIN-5-YL)OXY]-2-HYDROXYPROPYL}PIPERAZIN-1-YL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE, alpha-(((8-Acetyl-1,4-benzodioxan-5-yl)oxy)methyl)-4-(3,4,5-trimethoxycinnamoyl)-1-piperazineethanol
| Molecular Formula | C29H36N2O9 |
|---|---|
| Molecular Weight | 556.24 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.24207 |
| Heavy Atoms | 40 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 69118-25-8 |
|---|---|
| SMILES | CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)O)OCCO2 |
| InChIKey | SYFDPNLESAYNCB-UHFFFAOYSA-N |
Product Overview
Cinepaxadil (CAS 69118-25-8), with molecular formula C29H36N2O9 and molecular weight 556.24 g/mol. IUPAC: 1-[4-[3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Cinepaxadil
Property Insights of Cinepaxadil
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinepaxadil. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinepaxadil. Following Lipinski's Rule of Five, Cinepaxadil has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinepaxadil?
The CAS number of Cinepaxadil is 69118-25-8.
What is the molecular formula of Cinepaxadil?
The molecular formula of Cinepaxadil is C29H36N2O9.
What is the molecular weight of Cinepaxadil?
The molecular weight of Cinepaxadil is 556.24 g/mol.
Where can I buy Cinepaxadil?
You can request a quote for Cinepaxadil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinepaxadil?
Yes, KEHONG BIO provides custom synthesis services for Cinepaxadil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.