RefChem:1057878
TL;DR: RefChem:1057878 (CAS 61197-77-1) is a chemical compound with molecular formula C26H28ClN5O and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-butylpiperazin-1-yl)methylidene]-8-chloro-6-phenyl-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-2-((4-butyl-1-piperazinyl)methylene)-8-chloro-6-phenyl-, (2E)-2-[(4-butylpiperazin-1-yl)methylidene]-8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one, RefChem:1057878, BRN 0633187
| Molecular Formula | C26H28ClN5O |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 4.1952 |
| Topological Polar Surface Area | 51.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.19824 |
| Heavy Atoms | 33 |
| Complexity | 1132.6262 |
Chemical Identifiers
| CAS Number | 61197-77-1 |
|---|---|
| SMILES | CCCCN1CCN(CC1)/C=C/2\C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5 |
Product Overview
RefChem:1057878 (CAS 61197-77-1), with molecular formula C26H28ClN5O and molecular weight 461.20 g/mol. IUPAC: (2E)-2-[(4-butylpiperazin-1-yl)methylidene]-8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one.
Chemical Property Profile of RefChem:1057878
Property Insights of RefChem:1057878
The XLogP value of 4.1952 indicates that RefChem:1057878 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:1057878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057878 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:1057878?
The CAS number of RefChem:1057878 is 61197-77-1.
What is the molecular formula of RefChem:1057878?
The molecular formula of RefChem:1057878 is C26H28ClN5O.
What is the molecular weight of RefChem:1057878?
The molecular weight of RefChem:1057878 is 461.20 g/mol.
Where can I buy RefChem:1057878?
You can request a quote for RefChem:1057878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.