(3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
TL;DR: (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid (CAS 57775-08-3) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-butyl-4-oxophthalazin-1-yl)acetic acid
Also Known As: (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid, 3-(4-Bromophenyl)propionitrile, 2-(3-Butyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, 2-(3-butyl-4-oxophthalazin-1-yl)acetic acid, BAS 02824457
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.8237 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 661.27893 |
Chemical Identifiers
| CAS Number | 57775-08-3 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O |
Product Overview
(3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid (CAS 57775-08-3), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 2-(3-butyl-4-oxophthalazin-1-yl)acetic acid.
Chemical Property Profile of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
Property Insights of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
The XLogP value of 1.8237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid. Following Lipinski's Rule of Five, (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic 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-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The CAS number of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid is 57775-08-3.
What is the molecular formula of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The molecular formula of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid is C14H16N2O3.
What is the molecular weight of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid?
The molecular weight of (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid is 260.12 g/mol.
Where can I buy (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid?
You can request a quote for (3-Butyl-4-oxo-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 (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.