Tirotundin
TL;DR: Tirotundin (CAS 56377-67-4) is a chemical compound with molecular formula C19H28O6 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,8S,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
Also Known As: Tirotundin, Tagitinin D, MEGxp0_000078, 4CN-1995, [(1R,2S,4R,8S,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
| Molecular Formula | C19H28O6 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.3396 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1886 |
| Heavy Atoms | 25 |
| Complexity | 598.72174 |
Chemical Identifiers
| CAS Number | 56377-67-4 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@@]3(CC[C@]1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
Product Overview
Tirotundin (CAS 56377-67-4), with molecular formula C19H28O6 and molecular weight 352.19 g/mol. IUPAC: [(1R,2S,4R,8S,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate.
Chemical Property Profile of Tirotundin
Property Insights of Tirotundin
The XLogP value of 2.3396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tirotundin. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Tirotundin. Following Lipinski's Rule of Five, Tirotundin 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 Tirotundin?
The CAS number of Tirotundin is 56377-67-4.
What is the molecular formula of Tirotundin?
The molecular formula of Tirotundin is C19H28O6.
What is the molecular weight of Tirotundin?
The molecular weight of Tirotundin is 352.19 g/mol.
Where can I buy Tirotundin?
You can request a quote for Tirotundin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tirotundin?
Yes, KEHONG BIO provides custom synthesis services for Tirotundin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.