1,1,1-三(4-羟基苯基)乙烷
TL;DR: 1,1,1-三(4-羟基苯基)乙烷 (CAS 27955-94-8) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-三(4-羟基苯基)乙烷
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
Also Known As: 1,1,1-Tris(4-hydroxyphenyl)ethane, 4,4',4''-(ethane-1,1,1-triyl)triphenol, Phenol, 4,4',4''-ethylidynetris-, Tris(4-hydroxyphenyl)ethane, THPE
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 27955-94-8 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| InChIKey | BRPSWMCDEYMRPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-三(4-羟基苯基)乙烷 (CAS 27955-94-8), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol.
Chemical Property Profile of 1,1,1-三(4-羟基苯基)乙烷
Property Insights of 1,1,1-三(4-羟基苯基)乙烷
The XLogP value of 4.1 indicates that 1,1,1-三(4-羟基苯基)乙烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-三(4-羟基苯基)乙烷. Following Lipinski's Rule of Five, 1,1,1-三(4-羟基苯基)乙烷 has 3 hydrogen bond donor(s) and 3 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 1,1,1-三(4-羟基苯基)乙烷?
The CAS number of 1,1,1-三(4-羟基苯基)乙烷 is 27955-94-8.
What is the molecular formula of 1,1,1-三(4-羟基苯基)乙烷?
The molecular formula of 1,1,1-三(4-羟基苯基)乙烷 is C20H18O3.
What is the molecular weight of 1,1,1-三(4-羟基苯基)乙烷?
The molecular weight of 1,1,1-三(4-羟基苯基)乙烷 is 306.13 g/mol.
Where can I buy 1,1,1-三(4-羟基苯基)乙烷?
You can request a quote for 1,1,1-三(4-羟基苯基)乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-三(4-羟基苯基)乙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-三(4-羟基苯基)乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.