![3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one structure](/static/products/952/95207-68-4.png)
3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
TL;DR: 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 95207-68-4) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Also Known As: 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 3-Aminobenzosuberone, 3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 6-Bromo-1H-indazole-3-carboxaldehyde, 5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 95207-68-4 |
|---|---|
| SMILES | C1CCC(=O)C2=C(C1)C=CC(=C2)N |
| InChIKey | ZQRDYXKTQPGKMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 95207-68-4), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
Chemical Property Profile of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Property Insights of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-6,7,8,9-tetrahydro-5H-benzo[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
Frequently Asked Questions
What is the CAS number of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The CAS number of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 95207-68-4.
What is the molecular formula of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular formula of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is C11H13NO.
What is the molecular weight of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular weight of 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 175.10 g/mol.
Where can I buy 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
You can request a quote for 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-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-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.