4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
TL;DR: 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid (CAS 163629-09-2) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
Also Known As: (3-Acenaphthoyl)propionicacid, 4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid, A-Oxo-5-acenaphthenebutyric acid, 4-acenaphthen-5-yl-4-oxobutanoic acid, 5-Acenaphthylenebutanoicacid, 1,2-dihydro-g-oxo-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.0943 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 Da |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)C(=O)CCC(=O)O |
| InChIKey | RCYQMZNDPNZBNL-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
Property Insights of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic 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
What is the CAS number of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The CAS number of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid is 163629-09-2.
What is the molecular formula of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The molecular formula of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid is C16H14O3.
What is the molecular weight of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The molecular weight of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid is 254.0943 g/mol.
Where can I buy 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid?
You can request a quote for 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.