Tagitinins
TL;DR: Tagitinins (CAS 59979-58-7) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
Also Known As: Tagitinins, Tagitinin, Tagitinin E, [(9E)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate, Propanoic acid, 2-methyl-, 1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester (1aR-(1aR*,35*,4Z,5aR*,8aR*,9R*,10aR*))-
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 1.9105 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 635.82556 |
Chemical Identifiers
| CAS Number | 59979-58-7 |
|---|---|
| SMILES | C/C/1=C\C2C(C(CC3(C(O3)CC1O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
Product Overview
Tagitinins (CAS 59979-58-7), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [(9E)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate.
Chemical Property Profile of Tagitinins
Property Insights of Tagitinins
The XLogP value of 1.9105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tagitinins. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Tagitinins. Following Lipinski's Rule of Five, Tagitinins has 1 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 Tagitinins?
The CAS number of Tagitinins is 59979-58-7.
What is the molecular formula of Tagitinins?
The molecular formula of Tagitinins is C19H26O6.
What is the molecular weight of Tagitinins?
The molecular weight of Tagitinins is 350.17 g/mol.
Where can I buy Tagitinins?
You can request a quote for Tagitinins directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tagitinins?
Yes, KEHONG BIO provides custom synthesis services for Tagitinins and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.