8beta-Tigloyloxyreynosin
TL;DR: 8beta-Tigloyloxyreynosin (CAS 80368-31-6) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate
Also Known As: 8beta-Tigloyloxyreynosin, 8?-Tigloyloxyreynosin, (6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 80368-31-6 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC2(C(CCC(=C)C2C3C1C(=C)C(=O)O3)O)C |
| InChIKey | FDDKULNHLFGRDK-UHFFFAOYSA-N |
Product Overview
8beta-Tigloyloxyreynosin (CAS 80368-31-6), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: (6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate.
Chemical Property Profile of 8beta-Tigloyloxyreynosin
Property Insights of 8beta-Tigloyloxyreynosin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8beta-Tigloyloxyreynosin. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8beta-Tigloyloxyreynosin. Following Lipinski's Rule of Five, 8beta-Tigloyloxyreynosin has 1 hydrogen bond donor(s) and 5 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 8beta-Tigloyloxyreynosin?
The CAS number of 8beta-Tigloyloxyreynosin is 80368-31-6.
What is the molecular formula of 8beta-Tigloyloxyreynosin?
The molecular formula of 8beta-Tigloyloxyreynosin is C20H26O5.
What is the molecular weight of 8beta-Tigloyloxyreynosin?
The molecular weight of 8beta-Tigloyloxyreynosin is 346.18 g/mol.
Where can I buy 8beta-Tigloyloxyreynosin?
You can request a quote for 8beta-Tigloyloxyreynosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8beta-Tigloyloxyreynosin?
Yes, KEHONG BIO provides custom synthesis services for 8beta-Tigloyloxyreynosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.