2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone
TL;DR: 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone (CAS 64632-39-9) is a chemical compound with molecular formula C24H18N2O12 and molecular weight 526.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2,5-bis(4-methoxy-3-nitrophenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Also Known As: 2,5-BIS(3-NITRO-4-METHOXYPHENYL)-3,6-DIACETOXY-1,4-BENZOQUINONE, [4-acetyloxy-2,5-bis(4-methoxy-3-nitro-phenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] Acetate, [4-acetyloxy-2,5-bis(4-methoxy-3-nitrophenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
| Molecular Formula | C24H18N2O12 |
|---|---|
| Molecular Weight | 526.09 g/mol |
| LogP | 2.9206 |
| Topological Polar Surface Area | 191.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.086 |
| Heavy Atoms | 38 |
| Complexity | 1373.7136 |
Chemical Identifiers
| CAS Number | 64632-39-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OC(=O)C)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone (CAS 64632-39-9), with molecular formula C24H18N2O12 and molecular weight 526.09 g/mol. IUPAC: [4-acetyloxy-2,5-bis(4-methoxy-3-nitrophenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate.
Chemical Property Profile of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone
Property Insights of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone
The XLogP value of 2.9206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone. The TPSA of 191.48 Ų indicates high polarity, suggesting 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone 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 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone?
The CAS number of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone is 64632-39-9.
What is the molecular formula of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone?
The molecular formula of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone is C24H18N2O12.
What is the molecular weight of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone?
The molecular weight of 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone is 526.09 g/mol.
Where can I buy 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone?
You can request a quote for 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(3-nitro-4-methoxyphenyl)-3,6-diacetoxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.