![9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid structure](/static/products/851/85124-48-7.png)
9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
TL;DR: 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid (CAS 85124-48-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carboxylic acid
Also Known As: 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid, 8-carbamoylpyrrolo[1,2-a]pyrazine, 9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carboxylic acid, 6,7,8,9-Tetrahydro-9-oxo-5H-benzocycloheptene-6-carboxylic acid, 6-oxobicyclo[5.4.0]undeca-7,9,11-triene-3-carboxylic Acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.9064 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 409.0832 |
Chemical Identifiers
| CAS Number | 85124-48-7 |
|---|---|
| SMILES | C1CC(=O)C2=CC=CC=C2CC1C(=O)O |
Product Overview
9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid (CAS 85124-48-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carboxylic acid.
Chemical Property Profile of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
Property Insights of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
The XLogP value of 1.9064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid 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 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid?
The CAS number of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid is 85124-48-7.
What is the molecular formula of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid?
The molecular formula of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid is C12H12O3.
What is the molecular weight of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid?
The molecular weight of 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid is 204.08 g/mol.
Where can I buy 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid?
You can request a quote for 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.