3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide
TL;DR: 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide (CAS 721898-97-1) is a chemical compound with molecular formula C19H12N4O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)prop-2-enamide
Also Known As: 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide
| Molecular Formula | C19H12N4O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 1.49078 |
| Topological Polar Surface Area | 137.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.08078 |
| Heavy Atoms | 28 |
| Complexity | 1296.1475 |
Chemical Identifiers
| CAS Number | 721898-97-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C(=O)NC3=CC=CC4=C3C(=O)NNC4=O |
Product Overview
3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide (CAS 721898-97-1), with molecular formula C19H12N4O5 and molecular weight 376.08 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)prop-2-enamide.
Chemical Property Profile of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide
Property Insights of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide
The XLogP value of 1.49078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide. The TPSA of 137.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide has 3 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 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide?
The CAS number of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide is 721898-97-1.
What is the molecular formula of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide?
The molecular formula of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide is C19H12N4O5.
What is the molecular weight of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide?
The molecular weight of 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide is 376.08 g/mol.
Where can I buy 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide?
You can request a quote for 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxaindan-5-yl)-2-cyano-N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.