![(2-oxobenzo[cd]indol-1(2H)-yl)acetic acid structure](/static/products/3927/39273-46-6.webp)
(2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
TL;DR: (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 39273-46-6) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxobenzo[cd]indol-1-yl)acetic acid
Also Known As: (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid, Naphthostyryl-N-essigsaeure, IFLab1_003842, IFLab2_000053, 2-(2-oxobenzo[cd]indol-1-yl)acetic acid
| Molecular Formula | C13H9NO3 |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.05824 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 39273-46-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC(=O)O |
| InChIKey | CXOJEFXQICMXBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 39273-46-6), with molecular formula C13H9NO3 and molecular weight 227.06 g/mol. IUPAC: 2-(2-oxobenzo[cd]indol-1-yl)acetic acid.
Chemical Property Profile of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
Property Insights of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-oxobenzo[cd]indol-1(2H)-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 (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The CAS number of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 39273-46-6.
What is the molecular formula of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular formula of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is C13H9NO3.
What is the molecular weight of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular weight of (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 227.06 g/mol.
Where can I buy (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
You can request a quote for (2-oxobenzo[cd]indol-1(2H)-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 (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-oxobenzo[cd]indol-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.