3-(Pyren-1-yl)butanoic acid
TL;DR: 3-(Pyren-1-yl)butanoic acid (CAS 6973-82-6) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyren-1-ylbutanoic acid
Also Known As: 3-(pyren-1-yl)butanoic acid, 3-pyren-1-ylbutanoic acid, 3-Pyren-1-yl-buttersaeure, 3-Pyren-1-yl-butyric acid, BAS 00294160
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 6973-82-6 |
|---|---|
| SMILES | CC(CC(=O)O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | WROXDOWQLYDCHB-UHFFFAOYSA-N |
Product Overview
3-(Pyren-1-yl)butanoic acid (CAS 6973-82-6), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: 3-pyren-1-ylbutanoic acid.
Chemical Property Profile of 3-(Pyren-1-yl)butanoic acid
Property Insights of 3-(Pyren-1-yl)butanoic acid
The XLogP value of 5.1 indicates that 3-(Pyren-1-yl)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, 3-(Pyren-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyren-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Pyren-1-yl)butanoic acid?
The CAS number of 3-(Pyren-1-yl)butanoic acid is 6973-82-6.
What is the molecular formula of 3-(Pyren-1-yl)butanoic acid?
The molecular formula of 3-(Pyren-1-yl)butanoic acid is C20H16O2.
What is the molecular weight of 3-(Pyren-1-yl)butanoic acid?
The molecular weight of 3-(Pyren-1-yl)butanoic acid is 288.12 g/mol.
Where can I buy 3-(Pyren-1-yl)butanoic acid?
You can request a quote for 3-(Pyren-1-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 3-(Pyren-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyren-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.