RefChem:1071992
TL;DR: RefChem:1071992 (CAS 78311-96-3) is a chemical compound with molecular formula C20H18N4O8 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4,5-dimethoxy-2-nitrophenyl)methylene)-3-(2-methoxy-4-nitrophenyl)-2-methyl-, (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one, RefChem:1071992
| Molecular Formula | C20H18N4O8 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 3.3349 |
| Topological Polar Surface Area | 146.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.11246 |
| Heavy Atoms | 32 |
| Complexity | 1188.3625 |
Chemical Identifiers
| CAS Number | 78311-96-3 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
RefChem:1071992 (CAS 78311-96-3), with molecular formula C20H18N4O8 and molecular weight 442.11 g/mol. IUPAC: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1071992
Property Insights of RefChem:1071992
The XLogP value of 3.3349 indicates that RefChem:1071992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.64 Ų indicates high polarity, suggesting RefChem:1071992 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071992 has 0 hydrogen bond donor(s) and 9 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:1071992?
The CAS number of RefChem:1071992 is 78311-96-3.
What is the molecular formula of RefChem:1071992?
The molecular formula of RefChem:1071992 is C20H18N4O8.
What is the molecular weight of RefChem:1071992?
The molecular weight of RefChem:1071992 is 442.11 g/mol.
Where can I buy RefChem:1071992?
You can request a quote for RefChem:1071992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071992?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.