4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
TL;DR: 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (CAS 785-17-1) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
Also Known As: prednisolone, 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid, 5,6,7,8-Tetrahydro-gamma-oxonaphthalene-2-butyric acid, NCIOpen2_006110, 4-oxo-4-tetralin-6-yl-butanoic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 785-17-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)O |
| InChIKey | KTIOSKUXBNFTFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (CAS 785-17-1), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid.
Chemical Property Profile of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
Property Insights of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic 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 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The CAS number of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid is 785-17-1.
What is the molecular formula of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The molecular formula of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid is C14H16O3.
What is the molecular weight of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The molecular weight of 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid is 232.11 g/mol.
Where can I buy 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
You can request a quote for 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.