Phytuberin
TL;DR: Phytuberin (CAS 37209-50-0) is a chemical compound with molecular formula C17H26O4 and molecular weight 294.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3aR,5aS,8R,9aR)-3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl]propan-2-yl acetate
Also Known As: Phytuberin, (-)-Phytuberin, 2-[(3aR,5aS,8R,9aR)-3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl]propan-2-yl acetate, 2-[(3aR,5aS,8R,9aR)-3a,5a-dimethyl-5,5a,6,7,8,9-hexahydro-3aH-furo[3,2-c][2]benzofuran-8-yl]propan-2-yl acetate, (3aR,9aR)-5,5a,6,7,8,9-Hexahydro-alpha,alpha,3aalpha,5abeta-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8beta-methanol acetate
| Molecular Formula | C17H26O4 |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.1831 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 37209-50-0 |
|---|---|
| SMILES | CC(=O)OC(C)(C)[C@@H]1CC[C@]2(CO[C@]3([C@]2(C1)OC=C3)C)C |
| InChIKey | YARAJYKHRCCDLG-XLNGHYISSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phytuberin (CAS 37209-50-0), with molecular formula C17H26O4 and molecular weight 294.18 g/mol. IUPAC: 2-[(3aR,5aS,8R,9aR)-3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl]propan-2-yl acetate.
Chemical Property Profile of Phytuberin
Property Insights of Phytuberin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phytuberin. With a topological polar surface area (TPSA) of 44.8 Ų, Phytuberin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phytuberin has 0 hydrogen bond donor(s) and 4 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 Phytuberin?
The CAS number of Phytuberin is 37209-50-0.
What is the molecular formula of Phytuberin?
The molecular formula of Phytuberin is C17H26O4.
What is the molecular weight of Phytuberin?
The molecular weight of Phytuberin is 294.18 g/mol.
Where can I buy Phytuberin?
You can request a quote for Phytuberin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytuberin?
Yes, KEHONG BIO provides custom synthesis services for Phytuberin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.