Beta-oxo-2-naphthalenepropanoic acid
TL;DR: Beta-oxo-2-naphthalenepropanoic acid (CAS 824424-57-9) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-2-yl-3-oxopropanoic acid
Also Known As: Beta-oxo-2-naphthalenepropanoic acid, 3-naphthalen-2-yl-3-oxopropanoic acid, 3-Oxo-3-(2-naphthyl)propanoic acid, 3-naphthalen-2-yl-3-oxo-propanoic Acid, 3-(NAPHTHALEN-2-YL)-3-OXOPROPANOIC ACID
| Molecular Formula | C13H10O3 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 2.4972 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.06299 |
| Heavy Atoms | 16 |
| Complexity | 557.8612 |
Chemical Identifiers
| CAS Number | 824424-57-9 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)O |
Product Overview
Beta-oxo-2-naphthalenepropanoic acid (CAS 824424-57-9), with molecular formula C13H10O3 and molecular weight 214.06 g/mol. IUPAC: 3-naphthalen-2-yl-3-oxopropanoic acid.
Chemical Property Profile of Beta-oxo-2-naphthalenepropanoic acid
Property Insights of Beta-oxo-2-naphthalenepropanoic acid
The XLogP value of 2.4972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beta-oxo-2-naphthalenepropanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, Beta-oxo-2-naphthalenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Beta-oxo-2-naphthalenepropanoic 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 Beta-oxo-2-naphthalenepropanoic acid?
The CAS number of Beta-oxo-2-naphthalenepropanoic acid is 824424-57-9.
What is the molecular formula of Beta-oxo-2-naphthalenepropanoic acid?
The molecular formula of Beta-oxo-2-naphthalenepropanoic acid is C13H10O3.
What is the molecular weight of Beta-oxo-2-naphthalenepropanoic acid?
The molecular weight of Beta-oxo-2-naphthalenepropanoic acid is 214.06 g/mol.
Where can I buy Beta-oxo-2-naphthalenepropanoic acid?
You can request a quote for Beta-oxo-2-naphthalenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-oxo-2-naphthalenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Beta-oxo-2-naphthalenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.