![4-Nitrobenzo[cd]indol-2(1h)-one structure](/static/products/285/28575-17-9.png)
4-Nitrobenzo[cd]indol-2(1h)-one
TL;DR: 4-Nitrobenzo[cd]indol-2(1h)-one (CAS 28575-17-9) is a chemical compound with molecular formula C11H6N2O3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1H-benzo[cd]indol-2-one
Also Known As: 4-nitrobenzo[cd]indol-2(1h)-one, 4-nitro-1H-benzo[cd]indol-2-one
| Molecular Formula | C11H6N2O3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.03784 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 28575-17-9 |
|---|---|
| SMILES | C1=CC2=CC(=CC3=C2C(=C1)NC3=O)[N+](=O)[O-] |
| InChIKey | HMAUCVGRGWCHMK-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzo[cd]indol-2(1h)-one (CAS 28575-17-9), with molecular formula C11H6N2O3 and molecular weight 214.04 g/mol. IUPAC: 4-nitro-1H-benzo[cd]indol-2-one.
Chemical Property Profile of 4-Nitrobenzo[cd]indol-2(1h)-one
Property Insights of 4-Nitrobenzo[cd]indol-2(1h)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzo[cd]indol-2(1h)-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzo[cd]indol-2(1h)-one. Following Lipinski's Rule of Five, 4-Nitrobenzo[cd]indol-2(1h)-one 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 4-Nitrobenzo[cd]indol-2(1h)-one?
The CAS number of 4-Nitrobenzo[cd]indol-2(1h)-one is 28575-17-9.
What is the molecular formula of 4-Nitrobenzo[cd]indol-2(1h)-one?
The molecular formula of 4-Nitrobenzo[cd]indol-2(1h)-one is C11H6N2O3.
What is the molecular weight of 4-Nitrobenzo[cd]indol-2(1h)-one?
The molecular weight of 4-Nitrobenzo[cd]indol-2(1h)-one is 214.04 g/mol.
Where can I buy 4-Nitrobenzo[cd]indol-2(1h)-one?
You can request a quote for 4-Nitrobenzo[cd]indol-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzo[cd]indol-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzo[cd]indol-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.