RefChem:1071958
TL;DR: RefChem:1071958 (CAS 86818-87-3) is a chemical compound with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-3-(4-(4-morpholinyl)phenyl)-2-(4-nitrophenyl)-5-(phenylmethylene)-, (5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one, RefChem:1071958, BRN 4605098
| Molecular Formula | C26H22N4O4 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 4.2659 |
| Topological Polar Surface Area | 88.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1641 |
| Heavy Atoms | 34 |
| Complexity | 1262.4175 |
Chemical Identifiers
| CAS Number | 86818-87-3 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
RefChem:1071958 (CAS 86818-87-3), with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol. IUPAC: (5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one.
Chemical Property Profile of RefChem:1071958
Property Insights of RefChem:1071958
The XLogP value of 4.2659 indicates that RefChem:1071958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071958. Following Lipinski's Rule of Five, RefChem:1071958 has 0 hydrogen bond donor(s) and 6 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:1071958?
The CAS number of RefChem:1071958 is 86818-87-3.
What is the molecular formula of RefChem:1071958?
The molecular formula of RefChem:1071958 is C26H22N4O4.
What is the molecular weight of RefChem:1071958?
The molecular weight of RefChem:1071958 is 454.16 g/mol.
Where can I buy RefChem:1071958?
You can request a quote for RefChem:1071958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071958?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.