Liatrin
TL;DR: Liatrin (CAS 34175-79-6) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2Z,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate
Also Known As: Liatrin, Liatris lactone, [(1R,2Z,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate, ((3aR,4R,5E,9E,11aS)-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca(b)furan-4-yl) acetate, RefChem:924726
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 1.8891 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 881.5684 |
Chemical Identifiers
| CAS Number | 34175-79-6 |
|---|---|
| SMILES | C/C=C(/COC(=O)C)\C(=O)O[C@@H]1C[C@@]2(C=C[C@@](O2)(/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C |
Product Overview
Liatrin (CAS 34175-79-6), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: [(1R,2Z,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate.
Chemical Property Profile of Liatrin
Property Insights of Liatrin
The XLogP value of 1.8891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Liatrin. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Liatrin. Following Lipinski's Rule of Five, Liatrin has 1 hydrogen bond donor(s) and 8 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 Liatrin?
The CAS number of Liatrin is 34175-79-6.
What is the molecular formula of Liatrin?
The molecular formula of Liatrin is C22H26O8.
What is the molecular weight of Liatrin?
The molecular weight of Liatrin is 418.16 g/mol.
Where can I buy Liatrin?
You can request a quote for Liatrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Liatrin?
Yes, KEHONG BIO provides custom synthesis services for Liatrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.