Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-
TL;DR: Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- (CAS 30071-42-2) is a chemical compound with molecular formula C17H13N3O10 and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dimethoxy-5-nitrophenyl)-3-(4-hydroxy-3,5-dinitrophenyl)prop-2-en-1-one
Also Known As: 2',4'-Dimethoxy-4-hydroxy-3,5,5'-trinitrochalcone, Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-, 4-Idrossi-2',4'-dimetossi-3,5,5'-trinitrocalcone, 4-Idrossi-2',4'-dimetossi-3,5,5'-trinitrocalcone [Italian], (E)-1-(2,4-dimethoxy-5-nitrophenyl)-3-(4-hydroxy-3,5-dinitrophenyl)prop-2-en-1-one
| Molecular Formula | C17H13N3O10 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 3.0301 |
| Topological Polar Surface Area | 185.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.0601 |
| Heavy Atoms | 30 |
| Complexity | 1058.427 |
Chemical Identifiers
| CAS Number | 30071-42-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)/C=C/C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-])OC |
Product Overview
Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- (CAS 30071-42-2), with molecular formula C17H13N3O10 and molecular weight 419.06 g/mol. IUPAC: (E)-1-(2,4-dimethoxy-5-nitrophenyl)-3-(4-hydroxy-3,5-dinitrophenyl)prop-2-en-1-one.
Chemical Property Profile of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-
Property Insights of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-
The XLogP value of 3.0301 indicates that Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.18 Ų indicates high polarity, suggesting Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- has 1 hydrogen bond donor(s) and 10 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 Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-?
The CAS number of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- is 30071-42-2.
What is the molecular formula of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-?
The molecular formula of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- is C17H13N3O10.
What is the molecular weight of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-?
The molecular weight of Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- is 419.06 g/mol.
Where can I buy Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-?
You can request a quote for Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.