2-pyren-1-ylpentanedioic Acid
TL;DR: 2-pyren-1-ylpentanedioic Acid (CAS 86803-20-5) is a chemical compound with molecular formula C21H16O4 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyren-1-ylpentanedioic acid
Also Known As: 2-pyren-1-ylpentanedioic Acid, 2-(pyren-1-yl)pentanedioic acid, Pentanedioic acid, 2-pyren-1-yl-
| Molecular Formula | C21H16O4 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.10486 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 86803-20-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CCC(=O)O)C(=O)O |
| InChIKey | MKXUPVSKVZYRRU-UHFFFAOYSA-N |
Product Overview
2-pyren-1-ylpentanedioic Acid (CAS 86803-20-5), with molecular formula C21H16O4 and molecular weight 332.10 g/mol. IUPAC: 2-pyren-1-ylpentanedioic acid.
Chemical Property Profile of 2-pyren-1-ylpentanedioic Acid
Property Insights of 2-pyren-1-ylpentanedioic Acid
The XLogP value of 4.4 indicates that 2-pyren-1-ylpentanedioic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-pyren-1-ylpentanedioic Acid. Following Lipinski's Rule of Five, 2-pyren-1-ylpentanedioic Acid has 2 hydrogen bond donor(s) and 4 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 2-pyren-1-ylpentanedioic Acid?
The CAS number of 2-pyren-1-ylpentanedioic Acid is 86803-20-5.
What is the molecular formula of 2-pyren-1-ylpentanedioic Acid?
The molecular formula of 2-pyren-1-ylpentanedioic Acid is C21H16O4.
What is the molecular weight of 2-pyren-1-ylpentanedioic Acid?
The molecular weight of 2-pyren-1-ylpentanedioic Acid is 332.10 g/mol.
Where can I buy 2-pyren-1-ylpentanedioic Acid?
You can request a quote for 2-pyren-1-ylpentanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-pyren-1-ylpentanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-pyren-1-ylpentanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.