RefChem:297128
TL;DR: RefChem:297128 (CAS 57462-84-7) is a chemical compound with molecular formula C17H23ClN2O6 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-(dimethylamino)propyl)-2-ethyl-, oxalate, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-4-(2-(DIMETHYLAMINO)PROPYL)-2-ETHY, 1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium; 2-hydroxy-2-oxoacetate, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-[2-(dimethylamino)propyl]-2-ethyl-, ethanedioate (1:1), RefChem:297128
| Molecular Formula | C17H23ClN2O6 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.12445 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 57462-84-7 |
|---|---|
| SMILES | CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+](C)C.C(=O)(C(=O)[O-])O |
| InChIKey | SJORMDVXATZFFN-UHFFFAOYSA-N |
Product Overview
RefChem:297128 (CAS 57462-84-7), with molecular formula C17H23ClN2O6 and molecular weight 386.12 g/mol. IUPAC: 1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:297128
Property Insights of RefChem:297128
The XLogP value of -0.8 indicates that RefChem:297128 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 RefChem:297128. Following Lipinski's Rule of Five, RefChem:297128 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 RefChem:297128?
The CAS number of RefChem:297128 is 57462-84-7.
What is the molecular formula of RefChem:297128?
The molecular formula of RefChem:297128 is C17H23ClN2O6.
What is the molecular weight of RefChem:297128?
The molecular weight of RefChem:297128 is 386.12 g/mol.
Where can I buy RefChem:297128?
You can request a quote for RefChem:297128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297128?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.