6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
TL;DR: 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride (CAS 57462-72-3) is a chemical compound with molecular formula C20H22Cl2N2O2 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one;hydrochloride
Also Known As: 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, 6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one hydrochloride, 6-Chloro-2-phenyl-4-[2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one--hydrogen chloride (1/1), RefChem:267977
| Molecular Formula | C20H22Cl2N2O2 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 4.3243 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.10583 |
| Heavy Atoms | 26 |
| Complexity | 763.66144 |
Chemical Identifiers
| CAS Number | 57462-72-3 |
|---|---|
| SMILES | C1CCN(C1)CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)C4=CC=CC=C4.Cl |
Product Overview
6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride (CAS 57462-72-3), with molecular formula C20H22Cl2N2O2 and molecular weight 392.11 g/mol. IUPAC: 6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one;hydrochloride.
Chemical Property Profile of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
Property Insights of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
The XLogP value of 4.3243 indicates that 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)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-2-phenyl-4-(2-(1-pyrrolidinyl)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-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The CAS number of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is 57462-72-3.
What is the molecular formula of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The molecular formula of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is C20H22Cl2N2O2.
What is the molecular weight of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
The molecular weight of 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride is 392.11 g/mol.
Where can I buy 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
You can request a quote for 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)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-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.