Torilin
TL;DR: Torilin (CAS 26296-53-7) is a chemical compound with molecular formula C22H32O5 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate
Also Known As: Torilin, TORILIN [MI], HY-N1140, 4CN-3047, [(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 4.1577 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 697.4917 |
Chemical Identifiers
| CAS Number | 26296-53-7 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@H]2CC(=O)C(=C2C[C@@H]1C(C)(C)OC(=O)C)C)C |
Product Overview
Torilin (CAS 26296-53-7), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: [(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Torilin
Property Insights of Torilin
The XLogP value of 4.1577 indicates that Torilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Torilin. Following Lipinski's Rule of Five, Torilin has 0 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 Torilin?
The CAS number of Torilin is 26296-53-7.
What is the molecular formula of Torilin?
The molecular formula of Torilin is C22H32O5.
What is the molecular weight of Torilin?
The molecular weight of Torilin is 376.22 g/mol.
Where can I buy Torilin?
You can request a quote for Torilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Torilin?
Yes, KEHONG BIO provides custom synthesis services for Torilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.