![5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole structure](/static/products/7800/78000-58-5.webp)
5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
TL;DR: 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole (CAS 78000-58-5) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Also Known As: Machilin A, meso-Austrobailignan-5, erythro-Austrobailignan-5, Compound NP-025341, 5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 78000-58-5 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | QEFJURUMSHPMTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole (CAS 78000-58-5), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole.
Chemical Property Profile of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Property Insights of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
The XLogP value of 5.4 indicates that 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole?
The CAS number of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole is 78000-58-5.
What is the molecular formula of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole?
The molecular formula of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole is C20H22O4.
What is the molecular weight of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole?
The molecular weight of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole is 326.15 g/mol.
Where can I buy 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole?
You can request a quote for 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.