Gastrol
TL;DR: Gastrol (CAS 473231-03-7) is a chemical compound with molecular formula C21H20O4 and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-hydroxyphenyl)methoxymethyl]-2-[(4-hydroxyphenyl)methyl]phenol
Also Known As: Gastrol, J1.251.436K, 2-(4-Hydroxy-benzyl)-4-(4-hydroxy-benzyloxymethyl)-phenol, 2-(4-hydroxybenzyl)-4-{[(4-hydroxybenzyl)oxy]methyl}phenol, 2-(4-Hydroxybenzyl)-4-(4-hydroxybenzyloxymethyl)phenol
| Molecular Formula | C21H20O4 |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.13617 |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 473231-03-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(C=CC(=C2)COCC3=CC=C(C=C3)O)O)O |
| InChIKey | QBQNMIPDPJEZHR-UHFFFAOYSA-N |
Product Overview
Gastrol (CAS 473231-03-7), with molecular formula C21H20O4 and molecular weight 336.14 g/mol. IUPAC: 4-[(4-hydroxyphenyl)methoxymethyl]-2-[(4-hydroxyphenyl)methyl]phenol.
Chemical Property Profile of Gastrol
Property Insights of Gastrol
The XLogP value of 3.9 indicates that Gastrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Gastrol. Following Lipinski's Rule of Five, Gastrol has 3 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 Gastrol?
The CAS number of Gastrol is 473231-03-7.
What is the molecular formula of Gastrol?
The molecular formula of Gastrol is C21H20O4.
What is the molecular weight of Gastrol?
The molecular weight of Gastrol is 336.14 g/mol.
Where can I buy Gastrol?
You can request a quote for Gastrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gastrol?
Yes, KEHONG BIO provides custom synthesis services for Gastrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.