1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate
TL;DR: 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate (CAS 59921-90-3) is a chemical compound with molecular formula C20H25NO7 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ium-1-ylbutan-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 7-(4-(1-Pyrrolidinyl)butyryl)-1,4-benzodioxane maleate, 1,4-BENZODIOXANE, 7-(4-(1-PYRROLIDINYL)BUTYRYL)-, MALEATE, 7-(4-(PYRROLIDIN-1-YL)BUTYRYL)-1,4-BENZODIOXANE MALEATE, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-(pyrrolidin-1-yl)butan-1-one maleate, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ium-1-ylbutan-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C20H25NO7 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | -0.5235 |
| Topological Polar Surface Area | 117.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.16312 |
| Heavy Atoms | 28 |
| Complexity | 707.2644 |
Chemical Identifiers
| CAS Number | 59921-90-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CCCC(=O)C2=CC3=C(C=C2)OCCO3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate (CAS 59921-90-3), with molecular formula C20H25NO7 and molecular weight 391.16 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ium-1-ylbutan-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate
Property Insights of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate
The XLogP value of -0.5235 indicates that 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate. Following Lipinski's Rule of Five, 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate has 2 hydrogen bond donor(s) and 6 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 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate?
The CAS number of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate is 59921-90-3.
What is the molecular formula of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate?
The molecular formula of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate is C20H25NO7.
What is the molecular weight of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate?
The molecular weight of 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate is 391.16 g/mol.
Where can I buy 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate?
You can request a quote for 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.