Triangularine
TL;DR: Triangularine (CAS 87392-67-4) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate
Also Known As: Triangularine, Neotriangularine, [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 87392-67-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(=CC)CO |
| InChIKey | GOENJWUGVSLZDQ-UHFFFAOYSA-N |
Product Overview
Triangularine (CAS 87392-67-4), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate.
Chemical Property Profile of Triangularine
Property Insights of Triangularine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triangularine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triangularine. Following Lipinski's Rule of Five, Triangularine 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 Triangularine?
The CAS number of Triangularine is 87392-67-4.
What is the molecular formula of Triangularine?
The molecular formula of Triangularine is C18H25NO5.
What is the molecular weight of Triangularine?
The molecular weight of Triangularine is 335.17 g/mol.
Where can I buy Triangularine?
You can request a quote for Triangularine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triangularine?
Yes, KEHONG BIO provides custom synthesis services for Triangularine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.