芘-2-甲酸
TL;DR: 芘-2-甲酸 (CAS 36428-96-3) 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.
芘-2-甲酸
pyrene-2-carboxylic acid
Also Known As: Pyrene-2-carboxylic acid, 2-carboxypyrene, Pyren-2-carbonsaeure, 2-Pyrenecarboxylic acid, Pyrene-2-carboxylicacid
| Molecular Formula | C17H10O2 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 4.6 |
| 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 | 351.0 |
Chemical Identifiers
| CAS Number | 36428-96-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C(=O)O)C=C2 |
| InChIKey | JOPBIBGSCKPRBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芘-2-甲酸 (CAS 36428-96-3), with molecular formula C17H10O2 and molecular weight 246.07 g/mol. IUPAC: pyrene-2-carboxylic acid.
Chemical Property Profile of 芘-2-甲酸
Property Insights of 芘-2-甲酸
The XLogP value of 4.6 indicates that 芘-2-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 芘-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芘-2-甲酸 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 芘-2-甲酸?
The CAS number of 芘-2-甲酸 is 36428-96-3.
What is the molecular formula of 芘-2-甲酸?
The molecular formula of 芘-2-甲酸 is C17H10O2.
What is the molecular weight of 芘-2-甲酸?
The molecular weight of 芘-2-甲酸 is 246.07 g/mol.
Where can I buy 芘-2-甲酸?
You can request a quote for 芘-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芘-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 芘-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.