5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol
TL;DR: 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol (CAS 113276-63-4) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol
Also Known As: Demethylbatatasin IV, 2',3,5-trihydroxybibenzyl, 5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol, 2'',3,5-Trihydroxybibenzyl (2), 5-(2-Hydroxyphenethyl)-1,3-benzenediol
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 113276-63-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC2=CC(=CC(=C2)O)O)O |
| InChIKey | QNLYZTMYRVYPMN-UHFFFAOYSA-N |
Product Overview
5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol (CAS 113276-63-4), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol.
Chemical Property Profile of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol
Property Insights of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol
The XLogP value of 3.2 indicates that 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol 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 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol. Following Lipinski's Rule of Five, 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol 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 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol?
The CAS number of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol is 113276-63-4.
What is the molecular formula of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol?
The molecular formula of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol is C14H14O3.
What is the molecular weight of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol?
The molecular weight of 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol is 230.09 g/mol.
Where can I buy 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol?
You can request a quote for 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(2-Hydroxyphenyl)ethyl)-1,3-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.