3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one
TL;DR: 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one (CAS 94534-80-2) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Also Known As: Hinokinin, (-)-Hinokinin, Compound NP-006392, J2.039.811F, 3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 94534-80-2 |
|---|---|
| SMILES | C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | DDWGQGZPYDSYEL-UHFFFAOYSA-N |
Product Overview
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one (CAS 94534-80-2), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: 3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one.
Chemical Property Profile of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one
Property Insights of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one
The XLogP value of 3.7 indicates that 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one. Following Lipinski's Rule of Five, 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one has 0 hydrogen bond donor(s) and 6 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 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one?
The CAS number of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one is 94534-80-2.
What is the molecular formula of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one?
The molecular formula of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one is C20H18O6.
What is the molecular weight of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one?
The molecular weight of 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one is 354.11 g/mol.
Where can I buy 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one?
You can request a quote for 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.