Thalmine
TL;DR: Thalmine (CAS 7682-65-7) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol
Also Known As: Thalmine, 6,7',12-Trimethoxy-2,2'-dimethylthalman-6'-ol, 6,7 ,12-Trimethoxy-2,2 -dimethylthalman-6 -ol, 1-((5S)-2-(3-furyl)-5-methyl-cyclopenten-1-yl)-3-methyl-but-2-en-1-one, (1~1~S,3~1~S)-1~7~,3~6~,5~4~-Trimethoxy-1~2~,3~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(5,1),3(7,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphan-1~6~-ol
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 7682-65-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| InChIKey | CASHVZNATRNXDE-KYJUHHDHSA-N |
Product Overview
Thalmine (CAS 7682-65-7), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol.
Chemical Property Profile of Thalmine
Property Insights of Thalmine
The XLogP value of 6.3 indicates that Thalmine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalmine. Following Lipinski's Rule of Five, Thalmine has 1 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 Thalmine?
The CAS number of Thalmine is 7682-65-7.
What is the molecular formula of Thalmine?
The molecular formula of Thalmine is C37H40N2O6.
What is the molecular weight of Thalmine?
The molecular weight of Thalmine is 608.29 g/mol.
Where can I buy Thalmine?
You can request a quote for Thalmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalmine?
Yes, KEHONG BIO provides custom synthesis services for Thalmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.