RefChem:267865
TL;DR: RefChem:267865 (CAS 3966-84-5) is a chemical compound with molecular formula C20H24BrClN4O and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(2-diethylamino)ethyl-5-(2-pyridyl)-, hydrochloride, 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-BROMO-1-(2-DIETHYLAMINO)ETHYL-5-(2-PYR, RefChem:267865
| Molecular Formula | C20H24BrClN4O |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.0822 |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 3966-84-5 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-] |
| InChIKey | QMVLLFAJJBZQCE-UHFFFAOYSA-N |
Product Overview
RefChem:267865 (CAS 3966-84-5), with molecular formula C20H24BrClN4O and molecular weight 450.08 g/mol. IUPAC: 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:267865
Property Insights of RefChem:267865
The XLogP value of -1.04 indicates that RefChem:267865 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.0 Ų, RefChem:267865 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267865 has 1 hydrogen bond donor(s) and 4 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:267865?
The CAS number of RefChem:267865 is 3966-84-5.
What is the molecular formula of RefChem:267865?
The molecular formula of RefChem:267865 is C20H24BrClN4O.
What is the molecular weight of RefChem:267865?
The molecular weight of RefChem:267865 is 450.08 g/mol.
Where can I buy RefChem:267865?
You can request a quote for RefChem:267865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267865?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.