Gracilin
TL;DR: Gracilin (CAS 26871-30-7) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
Also Known As: Taurin, Gracilin, Barrelierin, Garlicin, Dibicor
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 26871-30-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C(=O)CCC(=C3[C@H]2OC1=O)C)C |
| InChIKey | RSDQBPGKMDFRHH-MJVIGCOGSA-N |
Product Overview
Gracilin (CAS 26871-30-7), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione.
Chemical Property Profile of Gracilin
Property Insights of Gracilin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gracilin. With a topological polar surface area (TPSA) of 43.4 Ų, Gracilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gracilin has 0 hydrogen bond donor(s) and 3 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 Gracilin?
The CAS number of Gracilin is 26871-30-7.
What is the molecular formula of Gracilin?
The molecular formula of Gracilin is C15H20O3.
What is the molecular weight of Gracilin?
The molecular weight of Gracilin is 248.14 g/mol.
Where can I buy Gracilin?
You can request a quote for Gracilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gracilin?
Yes, KEHONG BIO provides custom synthesis services for Gracilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.