Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-
TL;DR: Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- (CAS 94872-51-2) is a chemical compound with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2,2-bis(4-nitroanilino)ethanone
Also Known As: 2,2-Bis(p-nitroanilino)-4'-methoxy-acetophenone, ACETOPHENONE, 2,2-BIS(p-NITROANILINO)-4'-METHOXY-, 2,2-bis(p-nitroanilino)-4'-methoxyacetophenone, 1-(4-methoxyphenyl)-2,2-bis(4-nitroanilino)ethanone, alpha,alpha-Bis(p-nitroanilino)-4 -methoxyacetophenone
| Molecular Formula | C21H18N4O6 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.12262 |
| Heavy Atoms | 31 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 94872-51-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | AIGAUWTXIDBLBR-UHFFFAOYSA-N |
Product Overview
Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- (CAS 94872-51-2), with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2,2-bis(4-nitroanilino)ethanone.
Chemical Property Profile of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-
Property Insights of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-
The XLogP value of 4.8 indicates that Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- has 2 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 Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-?
The CAS number of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- is 94872-51-2.
What is the molecular formula of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-?
The molecular formula of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- is C21H18N4O6.
What is the molecular weight of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-?
The molecular weight of Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- is 422.12 g/mol.
Where can I buy Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-?
You can request a quote for Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2,2-bis(p-nitroanilino)-4'-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.