RefChem:267937
TL;DR: RefChem:267937 (CAS 23150-87-0) is a chemical compound with molecular formula C23H24N2O7 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1), 4-(1-(2-Benzoylethyl)-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one oxalate (1:1), 2-hydroxy-2-oxoacetate;4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one, 2-hydroxy-2-oxoacetate; 4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one, RefChem:267937
| Molecular Formula | C23H24N2O7 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.15836 |
| Heavy Atoms | 32 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 23150-87-0 |
|---|---|
| SMILES | C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O |
| InChIKey | TWMLWKLBZZPGCJ-UHFFFAOYSA-N |
Product Overview
RefChem:267937 (CAS 23150-87-0), with molecular formula C23H24N2O7 and molecular weight 440.16 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one.
Chemical Property Profile of RefChem:267937
Property Insights of RefChem:267937
The XLogP value of -0.84 indicates that RefChem:267937 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267937. Following Lipinski's Rule of Five, RefChem:267937 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:267937?
The CAS number of RefChem:267937 is 23150-87-0.
What is the molecular formula of RefChem:267937?
The molecular formula of RefChem:267937 is C23H24N2O7.
What is the molecular weight of RefChem:267937?
The molecular weight of RefChem:267937 is 440.16 g/mol.
Where can I buy RefChem:267937?
You can request a quote for RefChem:267937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.