![2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate structure](/static/products/7916/791605-06-6.webp)
2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
TL;DR: 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 791605-06-6) is a chemical compound with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
Also Known As: 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate, 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester
| Molecular Formula | C27H25N3O6 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 3.15004 |
| Topological Polar Surface Area | 112.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.17435 |
| Heavy Atoms | 36 |
| Complexity | 1519.7201 |
Chemical Identifiers
| CAS Number | 791605-06-6 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)CC4=NNC(=O)C5=CC=CC=C54 |
Product Overview
2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 791605-06-6), with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol. IUPAC: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.
Chemical Property Profile of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
Property Insights of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
The XLogP value of 3.15004 indicates that 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate. Following Lipinski's Rule of Five, 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate has 1 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-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The CAS number of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 791605-06-6.
What is the molecular formula of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular formula of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is C27H25N3O6.
What is the molecular weight of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular weight of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 487.17 g/mol.
Where can I buy 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
You can request a quote for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-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-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.