2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol
TL;DR: 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol (CAS 84495-60-3) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Also Known As: Enterodiol, 2,3-Bhbbd, rac Enterodiol, (+/-)-Enterodiol, rac Enterodiol-13C3
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 84495-60-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO |
| InChIKey | DWONJCNDULPHLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol (CAS 84495-60-3), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol.
Chemical Property Profile of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol
Property Insights of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol. Following Lipinski's Rule of Five, 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol has 4 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 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol?
The CAS number of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol is 84495-60-3.
What is the molecular formula of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol?
The molecular formula of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol is C18H22O4.
What is the molecular weight of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol?
The molecular weight of 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol is 302.15 g/mol.
Where can I buy 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol?
You can request a quote for 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(3'-hydroxybenzyl)butane-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.