4,5-菲二甲酸
TL;DR: 4,5-菲二甲酸 (CAS 5462-82-8) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-菲二甲酸
phenanthrene-4,5-dicarboxylic acid
Also Known As: Phenanthrene-4,5-dicarboxylic acid, 4,5-Phenanthrenedicarboxylic acid, Phenanthrene-4,5-dicarboxylate, 4,5-Phenanthrenedicarboxylicacid, 4,5-phenanthrene dicarboxylic acid
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 5462-82-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(=O)O)C3=C(C=CC=C3C(=O)O)C=C2 |
| InChIKey | RAGXPRCIICFJIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-菲二甲酸 (CAS 5462-82-8), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: phenanthrene-4,5-dicarboxylic acid.
Chemical Property Profile of 4,5-菲二甲酸
Property Insights of 4,5-菲二甲酸
The XLogP value of 3.2 indicates that 4,5-菲二甲酸 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 4,5-菲二甲酸. Following Lipinski's Rule of Five, 4,5-菲二甲酸 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 4,5-菲二甲酸?
The CAS number of 4,5-菲二甲酸 is 5462-82-8.
What is the molecular formula of 4,5-菲二甲酸?
The molecular formula of 4,5-菲二甲酸 is C16H10O4.
What is the molecular weight of 4,5-菲二甲酸?
The molecular weight of 4,5-菲二甲酸 is 266.06 g/mol.
Where can I buy 4,5-菲二甲酸?
You can request a quote for 4,5-菲二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-菲二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-菲二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.