3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one
TL;DR: 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one (CAS 33320-46-6) is a chemical compound with molecular formula C32H18N4O12 and molecular weight 650.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one
Also Known As: BAS 00531030, 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one, 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one, 3,3-Bis-[4-(2,4-dinitro-phenoxy)-phenyl]-3H-isobenzofuran-1-one, 3,3-BIS[4-(2,4-DINITROPHENOXY)PHENYL]-1(3H)-ISOBENZOFURANONE
| Molecular Formula | C32H18N4O12 |
|---|---|
| Molecular Weight | 650.09 g/mol |
| LogP | 7.3663 |
| Topological Polar Surface Area | 217.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 650.0921 |
| Heavy Atoms | 48 |
| Complexity | 2029.2654 |
Chemical Identifiers
| CAS Number | 33320-46-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one (CAS 33320-46-6), with molecular formula C32H18N4O12 and molecular weight 650.09 g/mol. IUPAC: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one.
Chemical Property Profile of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one
Property Insights of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one
The XLogP value of 7.3663 indicates that 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.32 Ų indicates high polarity, suggesting 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one?
The CAS number of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one is 33320-46-6.
What is the molecular formula of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one?
The molecular formula of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one is C32H18N4O12.
What is the molecular weight of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one?
The molecular weight of 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one is 650.09 g/mol.
Where can I buy 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one?
You can request a quote for 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-bis(4-{2,4-bisnitrophenoxy}phenyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.