1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
TL;DR: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride (CAS 52995-64-9) is a chemical compound with molecular formula C21H18BrCl2N5O3 and molecular weight 537.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Also Known As: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride, 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-c, 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride, RefChem:1058049
| Molecular Formula | C21H18BrCl2N5O3 |
|---|---|
| Molecular Weight | 537.00 g/mol |
| LogP | 1.03282 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.997 |
| Heavy Atoms | 32 |
| Complexity | 1213.6443 |
Chemical Identifiers
| CAS Number | 52995-64-9 |
|---|---|
| SMILES | CC1=[N+](C=C(N1CCBr)[N+](=O)[O-])C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-] |
Product Overview
1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride (CAS 52995-64-9), with molecular formula C21H18BrCl2N5O3 and molecular weight 537.00 g/mol. IUPAC: 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
Property Insights of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
The XLogP value of 1.03282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride. Following Lipinski's Rule of Five, 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride?
The CAS number of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride is 52995-64-9.
What is the molecular formula of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride?
The molecular formula of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride is C21H18BrCl2N5O3.
What is the molecular weight of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride?
The molecular weight of 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride is 537.00 g/mol.
Where can I buy 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride?
You can request a quote for 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.