![[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate structure](/static/products/5584/558432-85-2.webp)
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
TL;DR: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CAS 558432-85-2) is a chemical compound with molecular formula C20H18N4O7 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
Also Known As: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate|(4,5-dimethyl-2-nitro-phenyl)carbamoylmethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate|2-(4,5-Dimethyl-2-nitroanilino)-2-oxoethyl (1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)acetate|MLS002248196|SMR001315674
| Molecular Formula | C20H18N4O7 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 1.39674 |
| Topological Polar Surface Area | 153.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.11755 |
| Heavy Atoms | 31 |
| Complexity | 1323.3334 |
Chemical Identifiers
| CAS Number | 558432-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 |
Product Overview
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CAS 558432-85-2), with molecular formula C20H18N4O7 and molecular weight 426.12 g/mol. IUPAC: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
Chemical Property Profile of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
Property Insights of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
The XLogP value of 1.39674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate. The TPSA of 153.4 Ų indicates high polarity, suggesting [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has 2 hydrogen bond donor(s) and 7 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 [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The CAS number of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is 558432-85-2.
What is the molecular formula of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The molecular formula of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is C20H18N4O7.
What is the molecular weight of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The molecular weight of [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is 426.12 g/mol.
Where can I buy [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
You can request a quote for [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.