2,3-双(3'-羟基苄基)丁内酯
TL;DR: 2,3-双(3'-羟基苄基)丁内酯 (CAS 918502-72-4) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-双(3'-羟基苄基)丁内酯
3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Also Known As: Enterolactone, Enterolakton, HPMF, rac Enterolactone, BHMDF
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 918502-72-4 |
|---|---|
| SMILES | C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O |
| InChIKey | HVDGDHBAMCBBLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-双(3'-羟基苄基)丁内酯 (CAS 918502-72-4), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of 2,3-双(3'-羟基苄基)丁内酯
Property Insights of 2,3-双(3'-羟基苄基)丁内酯
The XLogP value of 3.3 indicates that 2,3-双(3'-羟基苄基)丁内酯 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 2,3-双(3'-羟基苄基)丁内酯. Following Lipinski's Rule of Five, 2,3-双(3'-羟基苄基)丁内酯 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 2,3-双(3'-羟基苄基)丁内酯?
The CAS number of 2,3-双(3'-羟基苄基)丁内酯 is 918502-72-4.
What is the molecular formula of 2,3-双(3'-羟基苄基)丁内酯?
The molecular formula of 2,3-双(3'-羟基苄基)丁内酯 is C18H18O4.
What is the molecular weight of 2,3-双(3'-羟基苄基)丁内酯?
The molecular weight of 2,3-双(3'-羟基苄基)丁内酯 is 298.12 g/mol.
Where can I buy 2,3-双(3'-羟基苄基)丁内酯?
You can request a quote for 2,3-双(3'-羟基苄基)丁内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-双(3'-羟基苄基)丁内酯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-双(3'-羟基苄基)丁内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.