1-Pyrenecarboxylic acid
TL;DR: 1-Pyrenecarboxylic acid (CAS 20146-63-8) is a chemical compound with molecular formula C17H10O2 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1-carboxylic acid
Also Known As: 1-Pyrenecarboxylic acid, pyrene-1-carboxylic acid, 1-Pyrenecarboxylicacid, pyrenecarboxylic acid, 1-Pyrenecarboxylic acid, 97%
| Molecular Formula | C17H10O2 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.06808 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 20146-63-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)O |
| InChIKey | HYISVWRHTUCNCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrenecarboxylic acid (CAS 20146-63-8), with molecular formula C17H10O2 and molecular weight 246.07 g/mol. IUPAC: pyrene-1-carboxylic acid.
Chemical Property Profile of 1-Pyrenecarboxylic acid
Property Insights of 1-Pyrenecarboxylic acid
The XLogP value of 5.0 indicates that 1-Pyrenecarboxylic 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-Pyrenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenecarboxylic 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
Frequently Asked Questions
What is the CAS number of 1-Pyrenecarboxylic acid?
The CAS number of 1-Pyrenecarboxylic acid is 20146-63-8.
What is the molecular formula of 1-Pyrenecarboxylic acid?
The molecular formula of 1-Pyrenecarboxylic acid is C17H10O2.
What is the molecular weight of 1-Pyrenecarboxylic acid?
The molecular weight of 1-Pyrenecarboxylic acid is 246.07 g/mol.
Where can I buy 1-Pyrenecarboxylic acid?
You can request a quote for 1-Pyrenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.