![2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid structure](/static/products/6446/64468-18-4.webp)
2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
TL;DR: 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 64468-18-4) is a chemical compound with molecular formula C13H8INO3 and molecular weight 352.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-iodo-2-oxobenzo[cd]indol-1-yl)acetic acid
Also Known As: 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid, F1065-0531, (6-iodo-2-oxo-1-aza-1-acenaphthenyl)acetic acid, 2-(6-iodo-2-oxobenzo[cd]indol-1-yl)acetic acid, 2-{9-iodo-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetic acid
| Molecular Formula | C13H8INO3 |
|---|---|
| Molecular Weight | 352.95 g/mol |
| LogP | 2.4892 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.9549 |
| Heavy Atoms | 18 |
| Complexity | 695.941 |
Chemical Identifiers
| CAS Number | 64468-18-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3CC(=O)O)I |
Product Overview
2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid (CAS 64468-18-4), with molecular formula C13H8INO3 and molecular weight 352.95 g/mol. IUPAC: 2-(6-iodo-2-oxobenzo[cd]indol-1-yl)acetic acid.
Chemical Property Profile of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
Property Insights of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid
The XLogP value of 2.4892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-(6-iodo-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-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The CAS number of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 64468-18-4.
What is the molecular formula of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular formula of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is C13H8INO3.
What is the molecular weight of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
The molecular weight of 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid is 352.95 g/mol.
Where can I buy 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
You can request a quote for 2-(6-iodo-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-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-iodo-2-oxobenzo[cd]indol-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.