酚酞
TL;DR: 酚酞 (CAS 77-09-8) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酚酞
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Also Known As: phenolphthalein, Phthalimetten, Euchessina, Phenolax, Phthalin
| Molecular Formula | C20H14O4 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0892 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
| Melting Point | 496 to 262.2 °C |
| Density | 1.299 at 25.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 6.7X10-13 mm Hg @ 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 77-09-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| InChIKey | KJFMBFZCATUALV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酚酞 (CAS 77-09-8), with molecular formula C20H14O4 and molecular weight 318.09 g/mol. IUPAC: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 酚酞
Property Insights of 酚酞
The XLogP value of 3.6 indicates that 酚酞 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 酚酞. Following Lipinski's Rule of Five, 酚酞 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 酚酞?
The CAS number of 酚酞 is 77-09-8.
What is the molecular formula of 酚酞?
The molecular formula of 酚酞 is C20H14O4.
What is the molecular weight of 酚酞?
The molecular weight of 酚酞 is 318.09 g/mol.
Where can I buy 酚酞?
You can request a quote for 酚酞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酚酞?
Yes, KEHONG BIO provides custom synthesis services for 酚酞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.