4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)
TL;DR: 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) (CAS 21044-89-3) is a chemical compound with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 6-Dimethylamino-3-n-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one maleate, 4H-1,3-BENZOXAZIN-4-ONE, 6-(DIMETHYLAMINO)-2,3-DIHYDRO-3-PROPYL-, MALEATE (1:1), 6-(Dimethylamino)-2,3-dihydro-3-propyl-4H-1,3-benzoxazin-4-one maleate, dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1071793
| Molecular Formula | C17H22N2O6 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | -0.9582 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1478 |
| Heavy Atoms | 25 |
| Complexity | 653.102 |
Chemical Identifiers
| CAS Number | 21044-89-3 |
|---|---|
| SMILES | CCCN1COC2=C(C1=O)C=C(C=C2)[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) (CAS 21044-89-3), with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol. IUPAC: dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)
Property Insights of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)
The XLogP value of -0.9582 indicates that 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1). Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) has 2 hydrogen bond donor(s) and 5 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 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)?
The CAS number of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) is 21044-89-3.
What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)?
The molecular formula of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) is C17H22N2O6.
What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)?
The molecular weight of 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) is 350.15 g/mol.
Where can I buy 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)?
You can request a quote for 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 6-(dimethylamino)-2,3-dihydro-3-propyl-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.