RefChem:1071994
TL;DR: RefChem:1071994 (CAS 78311-95-2) is a chemical compound with molecular formula C21H19N3O7 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4-(acetyloxy)-3-methoxyphenyl)methylene)-3-(2-methoxy-4-nitrophenyl)-2-methyl-, [2-methoxy-4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate, RefChem:1071994
| Molecular Formula | C21H19N3O7 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 3.3434 |
| Topological Polar Surface Area | 120.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.1223 |
| Heavy Atoms | 31 |
| Complexity | 1137.7885 |
Chemical Identifiers
| CAS Number | 78311-95-2 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC(=C(C=C2)OC(=O)C)OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
RefChem:1071994 (CAS 78311-95-2), with molecular formula C21H19N3O7 and molecular weight 425.12 g/mol. IUPAC: [2-methoxy-4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of RefChem:1071994
Property Insights of RefChem:1071994
The XLogP value of 3.3434 indicates that RefChem:1071994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.57 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071994. Following Lipinski's Rule of Five, RefChem:1071994 has 0 hydrogen bond donor(s) and 8 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:1071994?
The CAS number of RefChem:1071994 is 78311-95-2.
What is the molecular formula of RefChem:1071994?
The molecular formula of RefChem:1071994 is C21H19N3O7.
What is the molecular weight of RefChem:1071994?
The molecular weight of RefChem:1071994 is 425.12 g/mol.
Where can I buy RefChem:1071994?
You can request a quote for RefChem:1071994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.