RefChem:297120
TL;DR: RefChem:297120 (CAS 57462-92-7) is a chemical compound with molecular formula C19H25ClN2O6 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-ethyl-4-(2-(1-pyrrolidinyl)propyl)-, oxalate, 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-ETHYL-4-(2-(1-PYRROLIDINYL)PROPY, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-ethyl-4-[2-(1-pyrrolidinyl)propyl]-, ethanedioate (1:1), 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-hydroxy-2-oxoacetate
| Molecular Formula | C19H25ClN2O6 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1401 |
| Heavy Atoms | 28 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 57462-92-7 |
|---|---|
| SMILES | CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O |
| InChIKey | UAPITOJWKANGFK-UHFFFAOYSA-N |
Product Overview
RefChem:297120 (CAS 57462-92-7), with molecular formula C19H25ClN2O6 and molecular weight 412.14 g/mol. IUPAC: 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:297120
Property Insights of RefChem:297120
The XLogP value of -0.27 indicates that RefChem:297120 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:297120. Following Lipinski's Rule of Five, RefChem:297120 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:297120?
The CAS number of RefChem:297120 is 57462-92-7.
What is the molecular formula of RefChem:297120?
The molecular formula of RefChem:297120 is C19H25ClN2O6.
What is the molecular weight of RefChem:297120?
The molecular weight of RefChem:297120 is 412.14 g/mol.
Where can I buy RefChem:297120?
You can request a quote for RefChem:297120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297120?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.