酚酞二磷酸酯
TL;DR: 酚酞二磷酸酯 (CAS 2090-82-6) is a chemical compound with molecular formula C20H16O10P2 and molecular weight 478.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酚酞二磷酸酯
[4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
Also Known As: Phenolphthalein diphosphate, Phenolphthalein phosphate, KST-1A7835, SID:53790248, (E)-(4,4-Dibromobuta-1,3-dienyl)benzene
| Molecular Formula | C20H16O10P2 |
|---|---|
| Molecular Weight | 478.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.02188 |
| Heavy Atoms | 32 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 2090-82-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)(O)O)C4=CC=C(C=C4)OP(=O)(O)O |
| InChIKey | WMDDNKROYKCDJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酚酞二磷酸酯 (CAS 2090-82-6), with molecular formula C20H16O10P2 and molecular weight 478.02 g/mol. IUPAC: [4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate.
Chemical Property Profile of 酚酞二磷酸酯
Property Insights of 酚酞二磷酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酚酞二磷酸酯. The TPSA of 160.0 Ų indicates high polarity, suggesting 酚酞二磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 酚酞二磷酸酯 has 4 hydrogen bond donor(s) and 10 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 酚酞二磷酸酯?
The CAS number of 酚酞二磷酸酯 is 2090-82-6.
What is the molecular formula of 酚酞二磷酸酯?
The molecular formula of 酚酞二磷酸酯 is C20H16O10P2.
What is the molecular weight of 酚酞二磷酸酯?
The molecular weight of 酚酞二磷酸酯 is 478.02 g/mol.
Where can I buy 酚酞二磷酸酯?
You can request a quote for 酚酞二磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酚酞二磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 酚酞二磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.