![Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- structure](/static/products/6141/61417-00-3.webp)
Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-
TL;DR: Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- (CAS 61417-00-3) is a chemical compound with molecular formula C30H27N3O3 and molecular weight 477.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-anilino-2-(2,2-dimethylpropanoyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-N-phenylbenzenecarboximidamide
Also Known As: Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl ]-N-phenylbenzamidine, N-[2-(2,2-Dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenylbenzamidine, N-[2-(2,2-dimethylpropanoyl)-3,6-dioxo-4-(phenylamino)cyclohexa-1,4-dien-1-yl]-N-phenylbenzenecarboximidamide, N-[4-Anilino-2-(2,2-dimethylpropanoyl)-3,6-dioxo-1,4-cyclohexadien-1-yl]-N-phenylbenzenecarboximidamide #
| Molecular Formula | C30H27N3O3 |
|---|---|
| Molecular Weight | 477.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.20523 |
| Heavy Atoms | 36 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 61417-00-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=C(C(=O)C=C(C1=O)NC2=CC=CC=C2)N(C3=CC=CC=C3)C(=N)C4=CC=CC=C4 |
| InChIKey | DUMSNWDKWCJPPD-UHFFFAOYSA-N |
Product Overview
Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- (CAS 61417-00-3), with molecular formula C30H27N3O3 and molecular weight 477.21 g/mol. IUPAC: N-[4-anilino-2-(2,2-dimethylpropanoyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-N-phenylbenzenecarboximidamide.
Chemical Property Profile of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-
Property Insights of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-
The XLogP value of 6.0 indicates that Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-. Following Lipinski's Rule of Five, Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-?
The CAS number of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- is 61417-00-3.
What is the molecular formula of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-?
The molecular formula of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- is C30H27N3O3.
What is the molecular weight of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-?
The molecular weight of Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- is 477.21 g/mol.
Where can I buy Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-?
You can request a quote for Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidamide, N-[2-(2,2-dimethyl-1-oxopropyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.