![(6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid structure](/static/products/6446/64468-17-3.webp)
(6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
TL;DR: (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 64468-17-3) is a chemical compound with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-2-oxobenzo[cd]indol-1-yl)acetic acid
Also Known As: BAS 00437591, (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid, (6-Bromo-2-oxo-2H-benzo[cd]indol-1-yl)-acetic acid, 2-(6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid, 2-[6-BROMO-2-OXOBENZO[CD]INDOL-1(2H)-YL]ACETIC ACID
| Molecular Formula | C13H8BrNO3 |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.96875 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 64468-17-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3CC(=O)O)Br |
| InChIKey | FUZPCGIFEUXOPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 64468-17-3), with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol. IUPAC: 2-(6-bromo-2-oxobenzo[cd]indol-1-yl)acetic acid.
Chemical Property Profile of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
Property Insights of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (6-bromo-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, (6-bromo-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 (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The CAS number of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 64468-17-3.
What is the molecular formula of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular formula of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is C13H8BrNO3.
What is the molecular weight of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular weight of (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 304.97 g/mol.
Where can I buy (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
You can request a quote for (6-bromo-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 (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-bromo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.