4-芘乙酸
TL;DR: 4-芘乙酸 (CAS 22245-55-2) is a chemical compound with molecular formula C18H12O2 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-芘乙酸
2-pyren-4-ylacetic acid
Also Known As: 4-Pyreneacetic acid, 2-pyren-4-ylacetic Acid, 4-Pyrenylacetic Acid, Pyrene-4-acetic acid, Pyrene-4-ethanoic acid
| Molecular Formula | C18H12O2 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.08374 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 22245-55-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CC(=O)O |
| InChIKey | GJLRAJOEGIZXAU-UHFFFAOYSA-N |
Product Overview
4-芘乙酸 (CAS 22245-55-2), with molecular formula C18H12O2 and molecular weight 260.08 g/mol. IUPAC: 2-pyren-4-ylacetic acid.
Chemical Property Profile of 4-芘乙酸
Property Insights of 4-芘乙酸
The XLogP value of 4.5 indicates that 4-芘乙酸 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-芘乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-芘乙酸 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 4-芘乙酸?
The CAS number of 4-芘乙酸 is 22245-55-2.
What is the molecular formula of 4-芘乙酸?
The molecular formula of 4-芘乙酸 is C18H12O2.
What is the molecular weight of 4-芘乙酸?
The molecular weight of 4-芘乙酸 is 260.08 g/mol.
Where can I buy 4-芘乙酸?
You can request a quote for 4-芘乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-芘乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-芘乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.