C20H28N4O.3/2C4H4O4
TL;DR: C20H28N4O.3/2C4H4O4 (CAS 122009-58-9) is a chemical compound with molecular formula C52H68N8O14 and molecular weight 1028.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(but-2-enedioic acid);bis(4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline)
Also Known As: C20H28N4O.3/2C4H4O4, C20-H28-N4-O.3/2C4-H4-O4, 2-(4-Allyl-1-piperazinyl)-4-pentyloxyquinazoline fumarate (2:3), Quinazoline, 4-(pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)-, (E)-2-butenedioate (2:3)
| Molecular Formula | C52H68N8O14 |
|---|---|
| Molecular Weight | 1028.49 g/mol |
| LogP | 6.149 |
| Topological Polar Surface Area | 306.78 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 1028.4855 |
| Heavy Atoms | 74 |
| Complexity | 2269.71 |
Chemical Identifiers
| CAS Number | 122009-58-9 |
|---|---|
| SMILES | CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
C20H28N4O.3/2C4H4O4 (CAS 122009-58-9), with molecular formula C52H68N8O14 and molecular weight 1028.49 g/mol. IUPAC: tris(but-2-enedioic acid);bis(4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline).
Chemical Property Profile of C20H28N4O.3/2C4H4O4
Property Insights of C20H28N4O.3/2C4H4O4
The XLogP value of 6.149 indicates that C20H28N4O.3/2C4H4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 306.78 Ų indicates high polarity, suggesting C20H28N4O.3/2C4H4O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H28N4O.3/2C4H4O4 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H28N4O.3/2C4H4O4?
The CAS number of C20H28N4O.3/2C4H4O4 is 122009-58-9.
What is the molecular formula of C20H28N4O.3/2C4H4O4?
The molecular formula of C20H28N4O.3/2C4H4O4 is C52H68N8O14.
What is the molecular weight of C20H28N4O.3/2C4H4O4?
The molecular weight of C20H28N4O.3/2C4H4O4 is 1028.49 g/mol.
Where can I buy C20H28N4O.3/2C4H4O4?
You can request a quote for C20H28N4O.3/2C4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H28N4O.3/2C4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C20H28N4O.3/2C4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.