RefChem:297117
TL;DR: RefChem:297117 (CAS 57462-86-9) is a chemical compound with molecular formula C14H20ClN3O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-4-(2-(dimethylamino)propyl)-2-methyl-6-nitro-, hydrochloride, dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-4-(2-(DIMETHYLAMINO)PROPYL)-2-METHYL-6-NITR, 2H-1,4-Benzoxazin-3(4H)-one, 4-[2-(dimethylamino)propyl]-2-methyl-6-nitro-, monohydrochloride, RefChem:297117
| Molecular Formula | C14H20ClN3O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | -2.75 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.11423 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 57462-86-9 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-] |
| InChIKey | IOKHTIHZBIJKOX-UHFFFAOYSA-N |
Product Overview
RefChem:297117 (CAS 57462-86-9), with molecular formula C14H20ClN3O4 and molecular weight 329.11 g/mol. IUPAC: dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride.
Chemical Property Profile of RefChem:297117
Property Insights of RefChem:297117
The XLogP value of -2.75 indicates that RefChem:297117 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:297117. Following Lipinski's Rule of Five, RefChem:297117 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
Frequently Asked Questions
What is the CAS number of RefChem:297117?
The CAS number of RefChem:297117 is 57462-86-9.
What is the molecular formula of RefChem:297117?
The molecular formula of RefChem:297117 is C14H20ClN3O4.
What is the molecular weight of RefChem:297117?
The molecular weight of RefChem:297117 is 329.11 g/mol.
Where can I buy RefChem:297117?
You can request a quote for RefChem:297117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.