Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)
TL;DR: Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) (CAS 129664-06-8) is a chemical compound with molecular formula C21H28N4O5 and molecular weight 416.21 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-piperazin-1-ylquinazoline
Also Known As: 4-Pentyloxy-2-piperidinoquinazoline fumarate, Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-pentoxy-2-piperazin-1-ylquinazoline, RefChem:1097780
| Molecular Formula | C21H28N4O5 |
|---|---|
| Molecular Weight | 416.21 g/mol |
| LogP | 2.3202 |
| Topological Polar Surface Area | 124.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.20596 |
| Heavy Atoms | 30 |
| Complexity | 849.5956 |
Chemical Identifiers
| CAS Number | 129664-06-8 |
|---|---|
| SMILES | CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) (CAS 129664-06-8), with molecular formula C21H28N4O5 and molecular weight 416.21 g/mol. IUPAC: (E)-but-2-enedioic acid;4-pentoxy-2-piperazin-1-ylquinazoline.
Chemical Property Profile of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)
Property Insights of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)
The XLogP value of 2.3202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1). The TPSA of 124.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) has 3 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 Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The CAS number of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) is 129664-06-8.
What is the molecular formula of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The molecular formula of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) is C21H28N4O5.
What is the molecular weight of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The molecular weight of Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) is 416.21 g/mol.
Where can I buy Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)?
You can request a quote for Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.