RefChem:1071947
TL;DR: RefChem:1071947 (CAS 78311-84-9) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Also Known As: 3-(2-Methoxy-4-nitrophenyl)-2-methyl-5-(phenylmethylene)-3,5-dihydro-4H-imidazol-4-one, 4H-Imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-(phenylmethylene)-, (5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one, RefChem:1071947
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 3.4095 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 903.7921 |
Chemical Identifiers
| CAS Number | 78311-84-9 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
RefChem:1071947 (CAS 78311-84-9), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: (5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1071947
Property Insights of RefChem:1071947
The XLogP value of 3.4095 indicates that RefChem:1071947 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:1071947. Following Lipinski's Rule of Five, RefChem:1071947 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:1071947?
The CAS number of RefChem:1071947 is 78311-84-9.
What is the molecular formula of RefChem:1071947?
The molecular formula of RefChem:1071947 is C18H15N3O4.
What is the molecular weight of RefChem:1071947?
The molecular weight of RefChem:1071947 is 337.11 g/mol.
Where can I buy RefChem:1071947?
You can request a quote for RefChem:1071947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071947?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.