5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid
TL;DR: 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid (CAS 5654-93-3) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Also Known As: 5,6,7,8-tetrahydronaphthalene-1-carboxylic acid, tetralin-5-carboxylic acid, 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid, 1-NAPHTHOIC ACID, Palonosetron Impurity 28
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 5654-93-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC=C2C(=O)O |
| InChIKey | GCFQXKYHWFWGSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid (CAS 5654-93-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid
Property Insights of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic 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 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid?
The CAS number of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid is 5654-93-3.
What is the molecular formula of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid?
The molecular formula of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid is C11H12O2.
What is the molecular weight of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid?
The molecular weight of 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid is 176.08 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid?
You can request a quote for 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.