Thalpindione
TL;DR: Thalpindione (CAS 74690-97-4) is a chemical compound with molecular formula C38H40N2O8 and molecular weight 652.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,22S)-15-hydroxy-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene-21-carbaldehyde
Also Known As: Thalpindione, (-)-Thalpindione, Cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-, 19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-25-hydroxy-15,24,31,32-tetramethoxy-6-methyl-, (7S,19aS)-, (1~1~S,3~1~S)-3~7~-Hydroxy-1~6~,1~7~,3~6~,5~4~-tetramethoxy-1~2~-methyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(5,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane-3~2~-carbaldehyde
| Molecular Formula | C38H40N2O8 |
|---|---|
| Molecular Weight | 652.28 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 652.27844 |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 74690-97-4 |
|---|---|
| SMILES | CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C=O)OC)O)OC)OC)OC |
| InChIKey | CRIBSGNDLYNZDL-VMPREFPWSA-N |
Product Overview
Thalpindione (CAS 74690-97-4), with molecular formula C38H40N2O8 and molecular weight 652.28 g/mol. IUPAC: (3S,22S)-15-hydroxy-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene-21-carbaldehyde.
Chemical Property Profile of Thalpindione
Property Insights of Thalpindione
The XLogP value of 5.8 indicates that Thalpindione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalpindione. Following Lipinski's Rule of Five, Thalpindione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalpindione?
The CAS number of Thalpindione is 74690-97-4.
What is the molecular formula of Thalpindione?
The molecular formula of Thalpindione is C38H40N2O8.
What is the molecular weight of Thalpindione?
The molecular weight of Thalpindione is 652.28 g/mol.
Where can I buy Thalpindione?
You can request a quote for Thalpindione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalpindione?
Yes, KEHONG BIO provides custom synthesis services for Thalpindione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.