![[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate structure](/static/products/7295/729566-98-7.webp)
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
TL;DR: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate (CAS 729566-98-7) is a chemical compound with molecular formula C19H15F2N3O5 and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
Also Known As: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate|2-[2-(Difluoromethoxy)anilino]-2-oxoethyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate|MLS002245276|SMR001308930
| Molecular Formula | C19H15F2N3O5 |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 2.3304 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.098 |
| Heavy Atoms | 29 |
| Complexity | 1130.2728 |
Chemical Identifiers
| CAS Number | 729566-98-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3OC(F)F |
Product Overview
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate (CAS 729566-98-7), with molecular formula C19H15F2N3O5 and molecular weight 403.10 g/mol. IUPAC: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
Property Insights of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
The XLogP value of 2.3304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate. Following Lipinski's Rule of Five, [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate has 1 hydrogen bond donor(s) and 6 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-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The CAS number of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate is 729566-98-7.
What is the molecular formula of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The molecular formula of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate is C19H15F2N3O5.
What is the molecular weight of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The molecular weight of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate is 403.10 g/mol.
Where can I buy [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
You can request a quote for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.