(4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid
TL;DR: (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid (CAS 2460-87-9) 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.
2-(4-oxo-3-propylphthalazin-1-yl)acetic acid
Also Known As: 4-(tert-Butoxy)phenol, Venadaparib Impurity 36, (4-Oxo-3-propyl-3, (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid, (4-oxo-3-propylphthalazin-1-yl)acetic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 2460-87-9 |
|---|---|
| SMILES | CCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O |
| InChIKey | DIOMJIFAQZRGOY-UHFFFAOYSA-N |
Product Overview
(4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid (CAS 2460-87-9), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-(4-oxo-3-propylphthalazin-1-yl)acetic acid.
Chemical Property Profile of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid
Property Insights of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid. Following Lipinski's Rule of Five, (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid has 1 hydrogen bond donor(s) and 4 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-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The CAS number of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid is 2460-87-9.
What is the molecular formula of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The molecular formula of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid is C13H14N2O3.
What is the molecular weight of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The molecular weight of (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid is 246.10 g/mol.
Where can I buy (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid?
You can request a quote for (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-propyl-3,4-dihydro-phthalazin-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.