RefChem:297137
TL;DR: RefChem:297137 (CAS 57462-64-3) is a chemical compound with molecular formula C15H21Cl3N2O2 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,8-dichloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7,8-dichloro-4-(2-diethylaminoethyl)-2-methyl-, hydrochloride, 2-(7,8-Dichloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazaniumchloride, 2-(7,8-dichloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-7,8-DICHLORO-4-(2-DIETHYLAMINOETHYL)-2-METH, 2H-1,4-Benzoxazin-3(4H)-one, 7,8-dichloro-4-[2-(diethylamino)ethyl]-2-methyl-, monohydrochloride
| Molecular Formula | C15H21Cl3N2O2 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.06686 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 57462-64-3 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C(C(=C(C=C2)Cl)Cl)OC(C1=O)C.[Cl-] |
| InChIKey | YESHDEHJHNPWDU-UHFFFAOYSA-N |
Product Overview
RefChem:297137 (CAS 57462-64-3), with molecular formula C15H21Cl3N2O2 and molecular weight 366.07 g/mol. IUPAC: 2-(7,8-dichloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:297137
Property Insights of RefChem:297137
The XLogP value of -0.96 indicates that RefChem:297137 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:297137 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297137 has 1 hydrogen bond donor(s) and 3 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:297137?
The CAS number of RefChem:297137 is 57462-64-3.
What is the molecular formula of RefChem:297137?
The molecular formula of RefChem:297137 is C15H21Cl3N2O2.
What is the molecular weight of RefChem:297137?
The molecular weight of RefChem:297137 is 366.07 g/mol.
Where can I buy RefChem:297137?
You can request a quote for RefChem:297137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297137?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.