RefChem:297119
TL;DR: RefChem:297119 (CAS 57462-67-6) is a chemical compound with molecular formula C15H22ClN3O4 and molecular weight 343.12988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride, DIETHYL-[2-(2-METHYL-6-NITRO-3-OXO-1,4-BENZOXAZIN-4-YL)ETHYL]AZANIUMCHLORIDE, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-4-(2-DIETHYLAMINOETHYL)-2-METHYL-6-NITRO-,, diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride, 2H-1,4-Benzoxazin-3(4H)-one, 4-[2-(diethylamino)ethyl]-2-methyl-6-nitro-, monohydrochloride
Technical Specifications
| Molecular Formula | C15H22ClN3O4 |
| Molecular Weight | 343.12988 g/mol |
| XLogP | -2.36 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.12988 Da |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
| SMILES | CC[NH+](CC)CCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C.[Cl-] |
| InChIKey | XYLUMUDIJHWKSB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:297119
Property Insights of RefChem:297119
The XLogP value of -2.36 indicates that RefChem:297119 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:297119. Following Lipinski's Rule of Five, RefChem:297119 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:297119?
The CAS number of RefChem:297119 is 57462-67-6.
What is the molecular formula of RefChem:297119?
The molecular formula of RefChem:297119 is C15H22ClN3O4.
What is the molecular weight of RefChem:297119?
The molecular weight of RefChem:297119 is 343.12988 g/mol.
Where can I buy RefChem:297119?
You can request a quote for RefChem:297119 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:297119?
Yes, CoreyChem provides custom synthesis services for RefChem:297119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.