2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate
TL;DR: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate (CAS 53514-87-7) is a chemical compound with molecular formula C21H23ClFN3O2 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylethanamine oxide
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate, 2-[7-Chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N,N-diethylethan-1-amine N-oxide, 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylethanamine oxide, RefChem:267869
| Molecular Formula | C21H23ClFN3O2 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.0175 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14627 |
| Heavy Atoms | 28 |
| Complexity | 912.27374 |
Chemical Identifiers
| CAS Number | 53514-87-7 |
|---|---|
| SMILES | CC[N+](CC)(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)[O-] |
Product Overview
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate (CAS 53514-87-7), with molecular formula C21H23ClFN3O2 and molecular weight 403.15 g/mol. IUPAC: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylethanamine oxide.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate
Property Insights of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate
The XLogP value of 4.0175 indicates that 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate 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 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate is 53514-87-7.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate is C21H23ClFN3O2.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate is 403.15 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.