3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid
TL;DR: 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid (CAS 4572-80-9) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
Also Known As: 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid, 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid, 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)propanoic acid, BENZYLOXYCARBONYL-L-PROLINE AMIDE, 3,4-dihydro-1,4-dioxo-2(1H)-Phthalazinepropanoic acid
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 0.1645 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 683.66626 |
Chemical Identifiers
| CAS Number | 4572-80-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)O |
Product Overview
3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid (CAS 4572-80-9), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid.
Chemical Property Profile of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid
Property Insights of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid
The XLogP value of 0.1645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid has 2 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 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid?
The CAS number of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid is 4572-80-9.
What is the molecular formula of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid?
The molecular formula of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid is C11H10N2O4.
What is the molecular weight of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid?
The molecular weight of 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid is 234.06 g/mol.
Where can I buy 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid?
You can request a quote for 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.