1-Pyrenepropanoic acid
TL;DR: 1-Pyrenepropanoic acid (CAS 61098-93-9) is a chemical compound with molecular formula C19H14O2 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyren-1-ylpropanoic acid
Also Known As: 1-Pyrenepropanoic acid, pyrenepropionic acid, 3-pyren-1-ylpropanoic Acid, 1-Pyrenepropanoicacid, 1-pyrenepropionic acid
| Molecular Formula | C19H14O2 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 4.6012 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09937 |
| Heavy Atoms | 21 |
| Complexity | 953.4016 |
Chemical Identifiers
| CAS Number | 61098-93-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC(=O)O |
Product Overview
1-Pyrenepropanoic acid (CAS 61098-93-9), with molecular formula C19H14O2 and molecular weight 274.10 g/mol. IUPAC: 3-pyren-1-ylpropanoic acid.
Chemical Property Profile of 1-Pyrenepropanoic acid
Property Insights of 1-Pyrenepropanoic acid
The XLogP value of 4.6012 indicates that 1-Pyrenepropanoic 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, 1-Pyrenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenepropanoic acid has 1 hydrogen bond donor(s) and 1 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-Pyrenepropanoic acid?
The CAS number of 1-Pyrenepropanoic acid is 61098-93-9.
What is the molecular formula of 1-Pyrenepropanoic acid?
The molecular formula of 1-Pyrenepropanoic acid is C19H14O2.
What is the molecular weight of 1-Pyrenepropanoic acid?
The molecular weight of 1-Pyrenepropanoic acid is 274.10 g/mol.
Where can I buy 1-Pyrenepropanoic acid?
You can request a quote for 1-Pyrenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.