2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) (CAS 23247-06-5) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;4-[1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one
Also Known As: 4-(1-Phenethyl-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one oxalate (1:1), 2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(1-PHENETHYL-3-PYRROLIDINYL)-, OXALATE (1:1), 2-hydroxy-2-oxoacetate; 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one, RefChem:267938
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 23247-06-5 |
|---|---|
| SMILES | C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O |
| InChIKey | NKEONMFPIRYHAL-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) (CAS 23247-06-5), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;4-[1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)
The XLogP value of -0.87 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1). Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) 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 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) is 23247-06-5.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) is C22H24N2O6.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) is 412.16 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-phenethyl-3-pyrrolidinyl)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.