4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one
TL;DR: 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one (CAS 696635-31-1) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pyrrolidine-1-carbonyl)-2H-phthalazin-1-one
Also Known As: 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one, 4-(pyrrolidine-1-carbonyl)-2H-phthalazin-1-one, 4-(Pyrrolidine-1-carbonyl)phthalazin-1(2H)-one, 4-(pyrrolidine-1-carbonyl)-1,2-dihydrophthalazin-1-one, 4-(pyrrolidinylcarbonyl)-2-hydrophthalazin-1-one
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.1591 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 656.5791 |
Chemical Identifiers
| CAS Number | 696635-31-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one (CAS 696635-31-1), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 4-(pyrrolidine-1-carbonyl)-2H-phthalazin-1-one.
Chemical Property Profile of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one
Property Insights of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one
The XLogP value of 1.1591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one has 1 hydrogen bond donor(s) and 3 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 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one?
The CAS number of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one is 696635-31-1.
What is the molecular formula of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one?
The molecular formula of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one is C13H13N3O2.
What is the molecular weight of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one?
The molecular weight of 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one is 243.10 g/mol.
Where can I buy 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one?
You can request a quote for 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(pyrrolidin-1-ylcarbonyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.