RefChem:297139
TL;DR: RefChem:297139 (CAS 57462-88-1) is a chemical compound with molecular formula C14H19Cl2N3O4 and molecular weight 363.07526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-8-chloro-4-(2-(dimethylamino)propyl)-2-methyl-6-nitro-, hydrochloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-8-CHLORO-4-(2-(DIMETHYLAMINO)PROPYL)-2-METH, 1-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium chloride, 2H-1,4-Benzoxazin-3(4H)-one, 8-chloro-4-[2-(dimethylamino)propyl]-2-methyl-6-nitro-, monohydrochloride
Technical Specifications
| Molecular Formula | C14H19Cl2N3O4 |
| Molecular Weight | 363.07526 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.07526 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | CC1C(=O)N(C2=C(O1)C(=CC(=C2)[N+](=O)[O-])Cl)CC(C)[NH+](C)C.[Cl-] |
| InChIKey | ZWUQKUUAGYJBBG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:297139
Property Insights of RefChem:297139
The XLogP value of -2.1 indicates that RefChem:297139 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:297139. Following Lipinski's Rule of Five, RefChem:297139 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:297139?
The CAS number of RefChem:297139 is 57462-88-1.
What is the molecular formula of RefChem:297139?
The molecular formula of RefChem:297139 is C14H19Cl2N3O4.
What is the molecular weight of RefChem:297139?
The molecular weight of RefChem:297139 is 363.07526 g/mol.
Where can I buy RefChem:297139?
You can request a quote for RefChem:297139 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:297139?
Yes, CoreyChem provides custom synthesis services for RefChem:297139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.