6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
TL;DR: 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride (CAS 51244-42-9) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-[2-(diethylamino)ethyl]-1,4-benzoxazin-3-one;hydrochloride
Also Known As: EINECS 257-078-6, 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride, 6-chloro-4-[2- ethyl]-2H-1,4-benzoxazin-3 -onemonohydrochloride, 6-chloro-4-(2-diethylaminoethyl)-1,4-benzoxazin-3-one hydrochloride, 6-chloro-4-[2-(diethylamino)ethyl]-1,4-benzoxazin-3-one,hydrochloride
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 2.829 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 464.48718 |
Chemical Identifiers
| CAS Number | 51244-42-9 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)COC2=C1C=C(C=C2)Cl.Cl |
Product Overview
6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride (CAS 51244-42-9), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: 6-chloro-4-[2-(diethylamino)ethyl]-1,4-benzoxazin-3-one;hydrochloride.
Chemical Property Profile of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
Property Insights of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
The XLogP value of 2.829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride. With a topological polar surface area (TPSA) of 32.78 Ų, 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride has 0 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 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The CAS number of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is 51244-42-9.
What is the molecular formula of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The molecular formula of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is C14H20Cl2N2O2.
What is the molecular weight of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The molecular weight of 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is 318.09 g/mol.
Where can I buy 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
You can request a quote for 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-(2-(diethylamino)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.