3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid
TL;DR: 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid (CAS 28081-54-1) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxophthalazin-1-yl)acetic acid
Also Known As: Venadaparib Impurity 28, (3-Benzyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid, 2-(3-Benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, 2-(3-benzyl-4-oxophthalazin-1-yl)acetic acid, BAS 00692370
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.0719 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 885.2947 |
Chemical Identifiers
| CAS Number | 28081-54-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O |
Product Overview
3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid (CAS 28081-54-1), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 2-(3-benzyl-4-oxophthalazin-1-yl)acetic acid.
Chemical Property Profile of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid
Property Insights of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid
The XLogP value of 2.0719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic 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 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid?
The CAS number of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid is 28081-54-1.
What is the molecular formula of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid?
The molecular formula of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid is C17H14N2O3.
What is the molecular weight of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid?
The molecular weight of 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid is 294.10 g/mol.
Where can I buy 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid?
You can request a quote for 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.