芝麻素
TL;DR: 芝麻素 (CAS 607-80-7) 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.
芝麻素
5-[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: sesamin, Asarinin, Episesamin, (-)-Asarinin, Fagarol
| 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 | 607-80-7 |
|---|---|
| SMILES | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
| InChIKey | PEYUIKBAABKQKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芝麻素 (CAS 607-80-7), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: 5-[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 芝麻素
Property Insights of 芝麻素
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芝麻素. With a topological polar surface area (TPSA) of 55.4 Ų, 芝麻素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芝麻素 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 芝麻素?
The CAS number of 芝麻素 is 607-80-7.
What is the molecular formula of 芝麻素?
The molecular formula of 芝麻素 is C20H18O6.
What is the molecular weight of 芝麻素?
The molecular weight of 芝麻素 is 354.11 g/mol.
Where can I buy 芝麻素?
You can request a quote for 芝麻素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芝麻素?
Yes, KEHONG BIO provides custom synthesis services for 芝麻素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.