3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
TL;DR: 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid (CAS 40517-43-9) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethyl-4-oxophthalazin-1-yl)propanoic acid
Also Known As: 3- -PROPIONICACID, 3-(3-ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid, 3-(3-ethyl-4-oxophthalazin-1-yl)propanoic acid, 4-(methylsulfonyl)benzyl chloride, 3-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-propionic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.4336 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 646.2167 |
Chemical Identifiers
| CAS Number | 40517-43-9 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2C(=N1)CCC(=O)O |
Product Overview
3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid (CAS 40517-43-9), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-(3-ethyl-4-oxophthalazin-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
Property Insights of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
The XLogP value of 1.4336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid 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 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The CAS number of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is 40517-43-9.
What is the molecular formula of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The molecular formula of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is C13H14N2O3.
What is the molecular weight of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The molecular weight of 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is 246.10 g/mol.
Where can I buy 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
You can request a quote for 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-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-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.