RefChem:1057881
TL;DR: RefChem:1057881 (CAS 61197-83-9) is a chemical compound with molecular formula C24H23ClN6O3 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-6-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Also Known As: 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-6-(2-chlorophenyl)-2-((4-ethyl-1-piperazinyl)methylene)-8-nitro-, (2E)-6-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one, 6-(2-Chlorophenyl)-2-[(4-ethyl-1-piperazinyl)methylene]-2,4-dihydro-8-nitro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one, 9-(2-chlorophenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]-12-nitro-2,5,8-triazatricyclo[8.4.0.02,6]tetradeca-1(14),5,8,10,12-pentaen-3-one, RefChem:1057881
| Molecular Formula | C24H23ClN6O3 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 3.3232 |
| Topological Polar Surface Area | 94.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.152 |
| Heavy Atoms | 34 |
| Complexity | 1263.1046 |
Chemical Identifiers
| CAS Number | 61197-83-9 |
|---|---|
| SMILES | CCN1CCN(CC1)/C=C/2\C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl |
Product Overview
RefChem:1057881 (CAS 61197-83-9), with molecular formula C24H23ClN6O3 and molecular weight 478.15 g/mol. IUPAC: (2E)-6-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one.
Chemical Property Profile of RefChem:1057881
Property Insights of RefChem:1057881
The XLogP value of 3.3232 indicates that RefChem:1057881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.65 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057881. Following Lipinski's Rule of Five, RefChem:1057881 has 0 hydrogen bond donor(s) and 7 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:1057881?
The CAS number of RefChem:1057881 is 61197-83-9.
What is the molecular formula of RefChem:1057881?
The molecular formula of RefChem:1057881 is C24H23ClN6O3.
What is the molecular weight of RefChem:1057881?
The molecular weight of RefChem:1057881 is 478.15 g/mol.
Where can I buy RefChem:1057881?
You can request a quote for RefChem:1057881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.