KB 5666
TL;DR: KB 5666 (CAS 131916-69-3) is a chemical compound with molecular formula C24H32N4O5 and molecular weight 456.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Also Known As: KB 5666, 2-(Allyl-1-piperazinyl)-4-n-amyloxyquinazoline fumarate, Quinazoline, 4-(pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid;4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline, (E)-but-2-enedioic acid; 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
| Molecular Formula | C24H32N4O5 |
|---|---|
| Molecular Weight | 456.24 g/mol |
| LogP | 3.2186 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.23727 |
| Heavy Atoms | 33 |
| Complexity | 939.02014 |
Chemical Identifiers
| CAS Number | 131916-69-3 |
|---|---|
| SMILES | CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)O)\C(=O)O |
Product Overview
KB 5666 (CAS 131916-69-3), with molecular formula C24H32N4O5 and molecular weight 456.24 g/mol. IUPAC: (E)-but-2-enedioic acid;4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline.
Chemical Property Profile of KB 5666
Property Insights of KB 5666
The XLogP value of 3.2186 indicates that KB 5666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for KB 5666. Following Lipinski's Rule of Five, KB 5666 has 2 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 KB 5666?
The CAS number of KB 5666 is 131916-69-3.
What is the molecular formula of KB 5666?
The molecular formula of KB 5666 is C24H32N4O5.
What is the molecular weight of KB 5666?
The molecular weight of KB 5666 is 456.24 g/mol.
Where can I buy KB 5666?
You can request a quote for KB 5666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KB 5666?
Yes, KEHONG BIO provides custom synthesis services for KB 5666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.