Thesinine
TL;DR: Thesinine (CAS 488-02-8) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: THESININE, (-)-Thesinine, Isoretronecanol, p-hydroxycinnamate, [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, [(1R,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.4329 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 523.3417 |
Chemical Identifiers
| CAS Number | 488-02-8 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H](CCN2C1)COC(=O)/C=C/C3=CC=C(C=C3)O |
Product Overview
Thesinine (CAS 488-02-8), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Thesinine
Property Insights of Thesinine
The XLogP value of 2.4329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thesinine. With a topological polar surface area (TPSA) of 49.77 Ų, Thesinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thesinine has 1 hydrogen bond donor(s) and 4 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 Thesinine?
The CAS number of Thesinine is 488-02-8.
What is the molecular formula of Thesinine?
The molecular formula of Thesinine is C17H21NO3.
What is the molecular weight of Thesinine?
The molecular weight of Thesinine is 287.15 g/mol.
Where can I buy Thesinine?
You can request a quote for Thesinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thesinine?
Yes, KEHONG BIO provides custom synthesis services for Thesinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.