Thalphinine
TL;DR: Thalphinine (CAS 27764-06-3) is a chemical compound with molecular formula C39H42N2O8 and molecular weight 666.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(36),7(39),8,13,16(21),17,19,27(38),28,30,33(37),34-dodecaene
Also Known As: Thalphinine, Thalfinine, J2.444.769C, (1~5~S,3~1~S)-1~9~,3~6~,3~7~,5~4~-Tetramethoxy-1~6~,3~2~-dimethyl-1~5~,1~6~,1~7~,1~8~,3~1~,3~2~,3~3~,3~4~-octahydro-1~2~H-2,6-dioxa-1(4,5)-[1,3]dioxolo[4,5-g]isoquinolina-3(5,1)-isoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane, (3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo(31.2.2.13,7.127,31.09,13.016,21.020,25.014,39)nonatriaconta-1(36),7(39),8,13,16(21),17,19,27(38),28,30,33(37),34-dodecaene
| Molecular Formula | C39H42N2O8 |
|---|---|
| Molecular Weight | 666.29 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 666.2941 |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 27764-06-3 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CCN6C)OC3=C8C(=C2OC)OCO8)OC)OC)OC |
| InChIKey | YPVVVGJEVFEYOG-VMPREFPWSA-N |
Product Overview
Thalphinine (CAS 27764-06-3), with molecular formula C39H42N2O8 and molecular weight 666.29 g/mol. IUPAC: (3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(36),7(39),8,13,16(21),17,19,27(38),28,30,33(37),34-dodecaene.
Chemical Property Profile of Thalphinine
Property Insights of Thalphinine
The XLogP value of 6.5 indicates that Thalphinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalphinine. Following Lipinski's Rule of Five, Thalphinine has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalphinine?
The CAS number of Thalphinine is 27764-06-3.
What is the molecular formula of Thalphinine?
The molecular formula of Thalphinine is C39H42N2O8.
What is the molecular weight of Thalphinine?
The molecular weight of Thalphinine is 666.29 g/mol.
Where can I buy Thalphinine?
You can request a quote for Thalphinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalphinine?
Yes, KEHONG BIO provides custom synthesis services for Thalphinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.