RefChem:297138
TL;DR: RefChem:297138 (CAS 57462-65-4) is a chemical compound with molecular formula C15H21Cl2N3O4 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7-chloro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride, 2-(7-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-7-CHLORO-4-(2-DIETHYLAMINOETHYL)-2-METHYL-6, 2H-1,4-Benzoxazin-3(4H)-one, 7-chloro-4-[2-(diethylamino)ethyl]-2-methyl-6-nitro-, monohydrochloride, RefChem:297138
| Molecular Formula | C15H21Cl2N3O4 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | -1.71 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0909 |
| Heavy Atoms | 24 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 57462-65-4 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=CC(=C(C=C2OC(C1=O)C)Cl)[N+](=O)[O-].[Cl-] |
| InChIKey | VBOVVOCVQISACR-UHFFFAOYSA-N |
Product Overview
RefChem:297138 (CAS 57462-65-4), with molecular formula C15H21Cl2N3O4 and molecular weight 377.09 g/mol. IUPAC: 2-(7-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:297138
Property Insights of RefChem:297138
The XLogP value of -1.71 indicates that RefChem:297138 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:297138. Following Lipinski's Rule of Five, RefChem:297138 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:297138?
The CAS number of RefChem:297138 is 57462-65-4.
What is the molecular formula of RefChem:297138?
The molecular formula of RefChem:297138 is C15H21Cl2N3O4.
What is the molecular weight of RefChem:297138?
The molecular weight of RefChem:297138 is 377.09 g/mol.
Where can I buy RefChem:297138?
You can request a quote for RefChem:297138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.