Thesin
TL;DR: Thesin (CAS 528-37-0) is a chemical compound with molecular formula C34H42N2O6 and molecular weight 574.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Also Known As: Thesin, Thesine, 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester, (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-, Bis((hexahydro-1H-pyrrolizin-1-yl)methyl) 2,4-bis(4-hydroxyphenyl)-1,3-cyclobutanedicarboxylate (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-, bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
| Molecular Formula | C34H42N2O6 |
|---|---|
| Molecular Weight | 574.30 g/mol |
| LogP | 4.2662 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.30426 |
| Heavy Atoms | 42 |
| Complexity | 1174.4423 |
Chemical Identifiers
| CAS Number | 528-37-0 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H](CCN2C1)COC(=O)C3C(C(C3C4=CC=C(C=C4)O)C(=O)OC[C@@H]5CCN6[C@@H]5CCC6)C7=CC=C(C=C7)O |
Product Overview
Thesin (CAS 528-37-0), with molecular formula C34H42N2O6 and molecular weight 574.30 g/mol. IUPAC: bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate.
Chemical Property Profile of Thesin
Property Insights of Thesin
The XLogP value of 4.2662 indicates that Thesin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Thesin. Following Lipinski's Rule of Five, Thesin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thesin?
The CAS number of Thesin is 528-37-0.
What is the molecular formula of Thesin?
The molecular formula of Thesin is C34H42N2O6.
What is the molecular weight of Thesin?
The molecular weight of Thesin is 574.30 g/mol.
Where can I buy Thesin?
You can request a quote for Thesin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thesin?
Yes, KEHONG BIO provides custom synthesis services for Thesin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.