RefChem:297125
TL;DR: RefChem:297125 (CAS 57462-94-9) 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-methyl-4-(2-piperidin-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-methyl-4-(2-piperidinopropyl)-, oxalate, 6-Chloro-2-methyl-4-(2-piperidinopropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one oxalate, 6-chloro-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-4-[2-(1-piperidinyl)propyl]-, ethanedioate (1:1), 6-chloro-2-methyl-4-(2-piperidin-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 | 3 |
| Exact Mass | 412.1401 |
| Heavy Atoms | 28 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 57462-94-9 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCCC3.C(=O)(C(=O)[O-])O |
| InChIKey | FFQQUEKNQFABKI-UHFFFAOYSA-N |
Product Overview
RefChem:297125 (CAS 57462-94-9), with molecular formula C19H25ClN2O6 and molecular weight 412.14 g/mol. IUPAC: 6-chloro-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:297125
Property Insights of RefChem:297125
The XLogP value of -0.27 indicates that RefChem:297125 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:297125. Following Lipinski's Rule of Five, RefChem:297125 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:297125?
The CAS number of RefChem:297125 is 57462-94-9.
What is the molecular formula of RefChem:297125?
The molecular formula of RefChem:297125 is C19H25ClN2O6.
What is the molecular weight of RefChem:297125?
The molecular weight of RefChem:297125 is 412.14 g/mol.
Where can I buy RefChem:297125?
You can request a quote for RefChem:297125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297125?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.