2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate
TL;DR: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate (CAS 53514-80-0) is a chemical compound with molecular formula C19H19Cl2N3O2 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-dimethylethanamine oxide
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate, 2-[7-Chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N,N-dimethylethan-1-amine N-oxide, 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-dimethylethanamine oxide, RefChem:267888
| Molecular Formula | C19H19Cl2N3O2 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 3.7516 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.08542 |
| Heavy Atoms | 26 |
| Complexity | 875.32825 |
Chemical Identifiers
| CAS Number | 53514-80-0 |
|---|---|
| SMILES | C[N+](C)(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)[O-] |
Product Overview
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate (CAS 53514-80-0), with molecular formula C19H19Cl2N3O2 and molecular weight 391.09 g/mol. IUPAC: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-dimethylethanamine oxide.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate
Property Insights of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate
The XLogP value of 3.7516 indicates that 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate 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-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate 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-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate 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-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate is 53514-80-0.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate is C19H19Cl2N3O2.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate is 391.09 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate 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-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, N-oxide, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.