Sesamolinol
TL;DR: Sesamolinol (CAS 100016-94-2) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol
Also Known As: Sesamolinol, (+)-sesamolinol, 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol, (1R,3aR,4S,6aR)-4-((4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)oxy)-2-methoxyphenol, 4-(((3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)oxy)-2-methoxy-phenol
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 100016-94-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)O[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O |
| InChIKey | OJVGWDJIYBTWDS-AFHBHXEDSA-N |
Product Overview
Sesamolinol (CAS 100016-94-2), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol.
Chemical Property Profile of Sesamolinol
Property Insights of Sesamolinol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sesamolinol. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sesamolinol. Following Lipinski's Rule of Five, Sesamolinol has 1 hydrogen bond donor(s) and 7 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 Sesamolinol?
The CAS number of Sesamolinol is 100016-94-2.
What is the molecular formula of Sesamolinol?
The molecular formula of Sesamolinol is C20H20O7.
What is the molecular weight of Sesamolinol?
The molecular weight of Sesamolinol is 372.12 g/mol.
Where can I buy Sesamolinol?
You can request a quote for Sesamolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesamolinol?
Yes, KEHONG BIO provides custom synthesis services for Sesamolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.