RefChem:1097760
TL;DR: RefChem:1097760 (CAS 129664-00-2) is a chemical compound with molecular formula C22H28N4O5 and molecular weight 428.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(4-prop-2-enylpiperazin-1-yl)-4-propoxyquinazoline
Also Known As: 2-(4-Allyl-1-piperazinyl)-4-propoxyquinazoline fumarate, 2-(4-(2-Propenyl)-1-piperazinyl)-4-propoxyquinazoline (E)-2-butenedioate (1:1), Quinazoline, 2-(4-(2-propenyl)-1-piperazinyl)-4-propoxy-, (E)-2-butenedioate (1:1), 4-Isoxazolecarboxylicacid,5-acetyl-3-methyl-,ethyl ester, (E)-but-2-enedioic acid;2-(4-prop-2-enylpiperazin-1-yl)-4-propoxyquinazoline
| Molecular Formula | C22H28N4O5 |
|---|---|
| Molecular Weight | 428.21 g/mol |
| LogP | 2.4384 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.20596 |
| Heavy Atoms | 31 |
| Complexity | 907.25726 |
Chemical Identifiers
| CAS Number | 129664-00-2 |
|---|---|
| SMILES | CCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097760 (CAS 129664-00-2), with molecular formula C22H28N4O5 and molecular weight 428.21 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(4-prop-2-enylpiperazin-1-yl)-4-propoxyquinazoline.
Chemical Property Profile of RefChem:1097760
Property Insights of RefChem:1097760
The XLogP value of 2.4384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097760. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097760. Following Lipinski's Rule of Five, RefChem:1097760 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 RefChem:1097760?
The CAS number of RefChem:1097760 is 129664-00-2.
What is the molecular formula of RefChem:1097760?
The molecular formula of RefChem:1097760 is C22H28N4O5.
What is the molecular weight of RefChem:1097760?
The molecular weight of RefChem:1097760 is 428.21 g/mol.
Where can I buy RefChem:1097760?
You can request a quote for RefChem:1097760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097760?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.