Opera_ID_323
TL;DR: Opera_ID_323 (CAS 348595-19-7) is a chemical compound with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: CDS1_002022, (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione, 5-(4,5-dimethoxy-2-nitrobenzylidene)-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-(4,5-dimethoxy-2-nitro-benzylidene)-1-phenyl-barbituric acid
| Molecular Formula | C19H15N3O7 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 2.2784 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.091 |
| Heavy Atoms | 29 |
| Complexity | 1047.2683 |
Chemical Identifiers
| CAS Number | 348595-19-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)[N+](=O)[O-])OC |
Product Overview
Opera_ID_323 (CAS 348595-19-7), with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol. IUPAC: (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Opera_ID_323
Property Insights of Opera_ID_323
The XLogP value of 2.2784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_323. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_323. Following Lipinski's Rule of Five, Opera_ID_323 has 1 hydrogen bond donor(s) and 7 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 Opera_ID_323?
The CAS number of Opera_ID_323 is 348595-19-7.
What is the molecular formula of Opera_ID_323?
The molecular formula of Opera_ID_323 is C19H15N3O7.
What is the molecular weight of Opera_ID_323?
The molecular weight of Opera_ID_323 is 397.09 g/mol.
Where can I buy Opera_ID_323?
You can request a quote for Opera_ID_323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_323?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.