6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
TL;DR: 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid (CAS 6742-32-1) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid
Also Known As: 2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)acetic acid, 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid, 2-{5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl}acetic acid, 2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid, 5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-acetic Acid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6742-32-1 |
|---|---|
| SMILES | C1CC(C(=O)C2=CC=CC=C2C1)CC(=O)O |
| InChIKey | PYYIEBMODWJEII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid (CAS 6742-32-1), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid.
Chemical Property Profile of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
Property Insights of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid has 1 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 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid?
The CAS number of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid is 6742-32-1.
What is the molecular formula of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid?
The molecular formula of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid is C13H14O3.
What is the molecular weight of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid?
The molecular weight of 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid is 218.09 g/mol.
Where can I buy 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid?
You can request a quote for 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.