![7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile structure](/static/products/100/100062-87-1.webp)
7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile
TL;DR: 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile (CAS 100062-87-1) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6-carbonitrile
Also Known As: 7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6-carbonitrile, 7-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-6-carbonitrile, 7-oxo-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carbonitrile, 7-OXO-6,7,8,9-TETRAHYDRO-5H-BENZO[A]CYCLOHEPTENE-6-CARBONITRILE
Technical Specifications
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.08406 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.08406 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | C1CC(=O)C(CC2=CC=CC=C21)C#N |
| InChIKey | OAAKNLNDAZBKDX-UHFFFAOYSA-N |
Chemical Property Profile of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile
Property Insights of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile?
The CAS number of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile is 100062-87-1.
What is the molecular formula of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile?
The molecular formula of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile is C12H11NO.
What is the molecular weight of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile?
The molecular weight of 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile is 185.08406 g/mol.
Where can I buy 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile?
You can request a quote for 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[A]cycloheptene-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.