![4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one structure](/static/products/157/157988-98-2.webp)
4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
TL;DR: 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CAS 157988-98-2) is a chemical compound with molecular formula C11H13NO and molecular weight 175.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Also Known As: 5H-Benzocyclohepten-5-one, 4-amino-6,7,8,9-tetrahydro-, 8-aminobicyclo[5.4.0]undeca-8,10,12-trien-6-one
Technical Specifications
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.09972 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | C1CCC(=O)C2=C(C1)C=CC=C2N |
| InChIKey | VHRZKUQGOKPFOA-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Property Insights of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has 1 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 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The CAS number of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 157988-98-2.
What is the molecular formula of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The molecular formula of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is C11H13NO.
What is the molecular weight of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The molecular weight of 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 175.09972 g/mol.
Where can I buy 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
You can request a quote for 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
Yes, CoreyChem provides custom synthesis services for 4-Amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.