![(3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid structure](/static/products/7008/700858-44-2.webp)
(3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid
TL;DR: (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid (CAS 700858-44-2) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetic acid
Also Known As: (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid, 2-(3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid, 2-[3-OXOINDENO[1,2,3-DE]PHTHALAZIN-2(3H)-YL]ACETIC ACID, 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetic acid, 2-{4-oxo-2,3-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-1,5,7,9(16),10(15),11,13-heptaen-3-yl}acetic acid
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.1285 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 972.9083 |
Chemical Identifiers
| CAS Number | 700858-44-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C2=NN(C4=O)CC(=O)O |
Product Overview
(3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid (CAS 700858-44-2), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetic acid.
Chemical Property Profile of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid
Property Insights of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid
The XLogP value of 2.1285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid. Following Lipinski's Rule of Five, (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-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-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid?
The CAS number of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid is 700858-44-2.
What is the molecular formula of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid?
The molecular formula of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid is C16H10N2O3.
What is the molecular weight of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid?
The molecular weight of (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid is 278.07 g/mol.
Where can I buy (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid?
You can request a quote for (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-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-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-oxoindeno[1,2,3-de]phthalazin-2(3H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.