Austrobailignan 5
TL;DR: Austrobailignan 5 (CAS 6342-38-7) 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-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Also Known As: Austrobailignan 5, threo-Austrobalignan-5, 5,5'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(1,3-benzodioxole), 5,5'-(2,3-Dimethylbutane-1,4-diyl)bis(2H-1,3-benzodioxole), (2R,3R)-1,4-Bis(3,4-methylenedioxyphenyl)-2,3-dimethylbutane
| 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 | 6342-38-7 |
|---|---|
| SMILES | C[C@H](CC1=CC2=C(C=C1)OCO2)[C@H](C)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | QEFJURUMSHPMTC-ZIAGYGMSSA-N |
Product Overview
Austrobailignan 5 (CAS 6342-38-7), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole.
Chemical Property Profile of Austrobailignan 5
Property Insights of Austrobailignan 5
The XLogP value of 5.4 indicates that Austrobailignan 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, Austrobailignan 5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Austrobailignan 5 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 Austrobailignan 5?
The CAS number of Austrobailignan 5 is 6342-38-7.
What is the molecular formula of Austrobailignan 5?
The molecular formula of Austrobailignan 5 is C20H22O4.
What is the molecular weight of Austrobailignan 5?
The molecular weight of Austrobailignan 5 is 326.15 g/mol.
Where can I buy Austrobailignan 5?
You can request a quote for Austrobailignan 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austrobailignan 5?
Yes, KEHONG BIO provides custom synthesis services for Austrobailignan 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.