1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
TL;DR: 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid (CAS 3139-27-3) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylic acid
Also Known As: 4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid, 4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylic acid, 4-oxotetralin-1-carboxylic acid, oxotetrahydronaphthalenecarboxylicacid
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 3139-27-3 |
|---|---|
| SMILES | C1CC(=O)C2=CC=CC=C2C1C(=O)O |
| InChIKey | KTWAOLHYZNAOLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid (CAS 3139-27-3), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylic acid.
Chemical Property Profile of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Property Insights of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic 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 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid?
The CAS number of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid is 3139-27-3.
What is the molecular formula of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid?
The molecular formula of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid is C11H10O3.
What is the molecular weight of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid?
The molecular weight of 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid is 190.06 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid?
You can request a quote for 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.