3-羟基邻苯二甲酸酐
TL;DR: 3-羟基邻苯二甲酸酐 (CAS 37418-88-5) is a chemical compound with molecular formula C8H4O4 and molecular weight 164.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基邻苯二甲酸酐
4-hydroxy-2-benzofuran-1,3-dione
Also Known As: 3-Hydroxyphthalic anhydride, 4-hydroxyisobenzofuran-1,3-dione, 4-hydroxy-2-benzofuran-1,3-dione, 3-Hydroxyphthalic acid anhydride, 3-HP anhydride
| Molecular Formula | C8H4O4 |
|---|---|
| Molecular Weight | 164.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01096 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 37418-88-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)OC2=O |
| InChIKey | CCTOEAMRIIXGDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基邻苯二甲酸酐 (CAS 37418-88-5), with molecular formula C8H4O4 and molecular weight 164.01 g/mol. IUPAC: 4-hydroxy-2-benzofuran-1,3-dione.
Chemical Property Profile of 3-羟基邻苯二甲酸酐
Property Insights of 3-羟基邻苯二甲酸酐
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基邻苯二甲酸酐. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羟基邻苯二甲酸酐. Following Lipinski's Rule of Five, 3-羟基邻苯二甲酸酐 has 1 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 3-羟基邻苯二甲酸酐?
The CAS number of 3-羟基邻苯二甲酸酐 is 37418-88-5.
What is the molecular formula of 3-羟基邻苯二甲酸酐?
The molecular formula of 3-羟基邻苯二甲酸酐 is C8H4O4.
What is the molecular weight of 3-羟基邻苯二甲酸酐?
The molecular weight of 3-羟基邻苯二甲酸酐 is 164.01 g/mol.
Where can I buy 3-羟基邻苯二甲酸酐?
You can request a quote for 3-羟基邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.