RefChem:1057896
TL;DR: RefChem:1057896 (CAS 61197-79-3) is a chemical compound with molecular formula C25H24ClN5O and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-8-chloro-6-phenyl-2-[(4-prop-2-enylpiperazin-1-yl)methylidene]-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-8-chloro-6-phenyl-2-((4-(2-propenyl)-1-piperazinyl)methylene)-, (2E)-8-chloro-6-phenyl-2-[(4-prop-2-enylpiperazin-1-yl)methylidene]-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one, RefChem:1057896, BRN 0633039
| Molecular Formula | C25H24ClN5O |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.5811 |
| Topological Polar Surface Area | 51.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.16693 |
| Heavy Atoms | 32 |
| Complexity | 1146.1771 |
Chemical Identifiers
| CAS Number | 61197-79-3 |
|---|---|
| SMILES | C=CCN1CCN(CC1)/C=C/2\C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5 |
Product Overview
RefChem:1057896 (CAS 61197-79-3), with molecular formula C25H24ClN5O and molecular weight 445.17 g/mol. IUPAC: (2E)-8-chloro-6-phenyl-2-[(4-prop-2-enylpiperazin-1-yl)methylidene]-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one.
Chemical Property Profile of RefChem:1057896
Property Insights of RefChem:1057896
The XLogP value of 3.5811 indicates that RefChem:1057896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.51 Ų, RefChem:1057896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057896 has 0 hydrogen bond donor(s) and 5 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:1057896?
The CAS number of RefChem:1057896 is 61197-79-3.
What is the molecular formula of RefChem:1057896?
The molecular formula of RefChem:1057896 is C25H24ClN5O.
What is the molecular weight of RefChem:1057896?
The molecular weight of RefChem:1057896 is 445.17 g/mol.
Where can I buy RefChem:1057896?
You can request a quote for RefChem:1057896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.