RefChem:267866
TL;DR: RefChem:267866 (CAS 4466-96-0) is a chemical compound with molecular formula C19H23BrCl2N4O and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-4-ium-1-yl)propyl-dimethylazanium dichloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(3-(dimethylamino)propyl)-5-(2-pyridyl)-, dihydrochloride, 7-Bromo-1-(3-(dimethylamino)propyl)-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one 2HCl, 3-(7-bromo-2-oxo-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethylazanium dichloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-BROMO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(2, RefChem:267866
| Molecular Formula | C19H23BrCl2N4O |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | -6.35 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.04324 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 4466-96-0 |
|---|---|
| SMILES | C[NH+](C)CCCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-].[Cl-] |
| InChIKey | GPMIKQCOOHXHDK-UHFFFAOYSA-N |
Product Overview
RefChem:267866 (CAS 4466-96-0), with molecular formula C19H23BrCl2N4O and molecular weight 472.04 g/mol. IUPAC: 3-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-4-ium-1-yl)propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:267866
Property Insights of RefChem:267866
The XLogP value of -6.35 indicates that RefChem:267866 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.6 Ų, RefChem:267866 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267866 has 2 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:267866?
The CAS number of RefChem:267866 is 4466-96-0.
What is the molecular formula of RefChem:267866?
The molecular formula of RefChem:267866 is C19H23BrCl2N4O.
What is the molecular weight of RefChem:267866?
The molecular weight of RefChem:267866 is 472.04 g/mol.
Where can I buy RefChem:267866?
You can request a quote for RefChem:267866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267866?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.