5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime
TL;DR: 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime (CAS 136623-01-3) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indol-2-ol
Also Known As: NS 102, solid, N179_SIGMA, NS 102, PDSP1_001842, PDSP2_001825
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 3.0584 |
| Topological Polar Surface Area | 108.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 704.7978 |
Chemical Identifiers
| CAS Number | 136623-01-3 |
|---|---|
| SMILES | C1CCC2=C3C(=CC(=C2C1)[N+](=O)[O-])C(=C(N3)O)N=O |
Product Overview
5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime (CAS 136623-01-3), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 5-nitro-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indol-2-ol.
Chemical Property Profile of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime
Property Insights of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime
The XLogP value of 3.0584 indicates that 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime. Following Lipinski's Rule of Five, 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime has 2 hydrogen bond donor(s) and 5 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 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime?
The CAS number of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime is 136623-01-3.
What is the molecular formula of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime?
The molecular formula of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime is C12H11N3O4.
What is the molecular weight of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime?
The molecular weight of 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime is 261.07 g/mol.
Where can I buy 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime?
You can request a quote for 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.