![6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one structure](/static/products/4685/4685-53-4.webp)
6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one
TL;DR: 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one (CAS 4685-53-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4-nitrobenzo[7]annulen-7-one
Also Known As: 6,8-dimethyl-1-nitro-7h-benzo[7]annulen-7-one, 6,8-dimethyl-4-nitrobenzo[7]annulen-7-one, 6,8-Dimethyl-1-nitro-7H-benzocyclohepten-7-on
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4685-53-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C(C1=O)C)C(=CC=C2)[N+](=O)[O-] |
| InChIKey | ALDNZUNYJACAPM-UHFFFAOYSA-N |
Product Overview
6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one (CAS 4685-53-4), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 6,8-dimethyl-4-nitrobenzo[7]annulen-7-one.
Chemical Property Profile of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one
Property Insights of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one
The XLogP value of 3.0 indicates that 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one. Following Lipinski's Rule of Five, 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one has 0 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 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one?
The CAS number of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one is 4685-53-4.
What is the molecular formula of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one?
The molecular formula of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one is C13H11NO3.
What is the molecular weight of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one?
The molecular weight of 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one is 229.07 g/mol.
Where can I buy 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one?
You can request a quote for 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimethyl-1-nitro-7h-benzo[7]annulen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.