4-(3-Phenanthryl)butanoic acid
TL;DR: 4-(3-Phenanthryl)butanoic acid (CAS 13728-56-8) is a chemical compound with molecular formula C18H16O2 and molecular weight 264.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenanthren-3-ylbutanoic acid
Also Known As: 4-(3-Phenanthryl)butanoic acid, 3-Phenanthrenebutanoic acid, HIV-1 Nef-IN-1, 4-(phenanthren-3-yl)butanoic acid, Compound D11
Technical Specifications
| Molecular Formula | C18H16O2 |
| Molecular Weight | 264.11502 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.11502 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCCC(=O)O |
| InChIKey | NYIVWTWKIQOBKO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Phenanthryl)butanoic acid
Property Insights of 4-(3-Phenanthryl)butanoic acid
The XLogP value of 4.9 indicates that 4-(3-Phenanthryl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(3-Phenanthryl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Phenanthryl)butanoic 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
What is the CAS number of 4-(3-Phenanthryl)butanoic acid?
The CAS number of 4-(3-Phenanthryl)butanoic acid is 13728-56-8.
What is the molecular formula of 4-(3-Phenanthryl)butanoic acid?
The molecular formula of 4-(3-Phenanthryl)butanoic acid is C18H16O2.
What is the molecular weight of 4-(3-Phenanthryl)butanoic acid?
The molecular weight of 4-(3-Phenanthryl)butanoic acid is 264.11502 g/mol.
Where can I buy 4-(3-Phenanthryl)butanoic acid?
You can request a quote for 4-(3-Phenanthryl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Phenanthryl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Phenanthryl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.