Asarinin
TL;DR: Asarinin (CAS 133-05-1) 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.
5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Also Known As: Asarinin, l-asarinin, Episesamin, (-)-Asarinin, (+)-Episesamin
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 133-05-1 |
|---|---|
| SMILES | C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6 |
| InChIKey | PEYUIKBAABKQKQ-WZBLMQSHSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asarinin (CAS 133-05-1), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: 5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole.
Chemical Property Profile of Asarinin
Property Insights of Asarinin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asarinin. With a topological polar surface area (TPSA) of 55.4 Ų, Asarinin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asarinin 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 Asarinin?
The CAS number of Asarinin is 133-05-1.
What is the molecular formula of Asarinin?
The molecular formula of Asarinin is C20H18O6.
What is the molecular weight of Asarinin?
The molecular weight of Asarinin is 354.11 g/mol.
Where can I buy Asarinin?
You can request a quote for Asarinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asarinin?
Yes, KEHONG BIO provides custom synthesis services for Asarinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.