![3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one structure](/static/products/7507/7507-93-9.webp)
3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
TL;DR: 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one (CAS 7507-93-9) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Also Known As: 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 1,2-Dodecanediol, 3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, J3.523.507H, 3-nitro-6,7,8,9-tetrahydro-benzocyclohepten-5-one
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 7507-93-9 |
|---|---|
| SMILES | C1CCC(=O)C2=C(C1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | VDNGDQXLGGSHHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one (CAS 7507-93-9), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
Chemical Property Profile of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
Property Insights of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one. Following Lipinski's Rule of Five, 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-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 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one?
The CAS number of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one is 7507-93-9.
What is the molecular formula of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one?
The molecular formula of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one is C11H11NO3.
What is the molecular weight of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one?
The molecular weight of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one is 205.07 g/mol.
Where can I buy 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one?
You can request a quote for 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.