常绿钩吻碱
TL;DR: 常绿钩吻碱 (CAS 549-92-8) is a chemical compound with molecular formula C27H25ClN2O2 and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
常绿钩吻碱
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione
Also Known As: 2-{2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl}-2-phenyl-1h-indene-1,3(2h)-dione, 5-23-02-00237 (Beilstein Handbook Reference), 1,3-Indandione, 2-(2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl)-2-phenyl-, 2-(2-(4-(p-Chlorophenyl)-1-piperazinyl)ethyl)-2-phenyl-indandione-1,3, 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione
| Molecular Formula | C27H25ClN2O2 |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.16046 |
| Heavy Atoms | 32 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 549-92-8 |
|---|---|
| SMILES | C1CN(CCN1CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
| InChIKey | MPPWPEPECQDGHU-UHFFFAOYSA-N |
Product Overview
常绿钩吻碱 (CAS 549-92-8), with molecular formula C27H25ClN2O2 and molecular weight 444.16 g/mol. IUPAC: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione.
Chemical Property Profile of 常绿钩吻碱
Property Insights of 常绿钩吻碱
The XLogP value of 5.5 indicates that 常绿钩吻碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 常绿钩吻碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 常绿钩吻碱 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 常绿钩吻碱?
The CAS number of 常绿钩吻碱 is 549-92-8.
What is the molecular formula of 常绿钩吻碱?
The molecular formula of 常绿钩吻碱 is C27H25ClN2O2.
What is the molecular weight of 常绿钩吻碱?
The molecular weight of 常绿钩吻碱 is 444.16 g/mol.
Where can I buy 常绿钩吻碱?
You can request a quote for 常绿钩吻碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 常绿钩吻碱?
Yes, KEHONG BIO provides custom synthesis services for 常绿钩吻碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.