RefChem:1072013
TL;DR: RefChem:1072013 (CAS 78311-85-0) is a chemical compound with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4-chlorophenyl)methylene)-3-(2-methoxy-4-nitrophenyl)-2-methyl-, (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one, RefChem:1072013
| Molecular Formula | C18H14ClN3O4 |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 4.0629 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.0673 |
| Heavy Atoms | 26 |
| Complexity | 951.4086 |
Chemical Identifiers
| CAS Number | 78311-85-0 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
RefChem:1072013 (CAS 78311-85-0), with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol. IUPAC: (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1072013
Property Insights of RefChem:1072013
The XLogP value of 4.0629 indicates that RefChem:1072013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072013. Following Lipinski's Rule of Five, RefChem:1072013 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:1072013?
The CAS number of RefChem:1072013 is 78311-85-0.
What is the molecular formula of RefChem:1072013?
The molecular formula of RefChem:1072013 is C18H14ClN3O4.
What is the molecular weight of RefChem:1072013?
The molecular weight of RefChem:1072013 is 371.07 g/mol.
Where can I buy RefChem:1072013?
You can request a quote for RefChem:1072013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.