Thalrugosaminine
TL;DR: Thalrugosaminine (CAS 22226-73-9) is a chemical compound with molecular formula C39H44N2O7 and molecular weight 652.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,19,20,21,25-pentamethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaene
Also Known As: THALRUGOSAMININE, (-)-Thalrugosaminine, Thalrugosaminine [M+H]+, 12'-O-Methylthaligosinine, 6,19,20,21,25-pentamethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaene
| Molecular Formula | C39H44N2O7 |
|---|---|
| Molecular Weight | 652.31 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.3149 |
| Heavy Atoms | 48 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 22226-73-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)C=C5)OC |
| InChIKey | HKAAPKXOAPZXLY-UHFFFAOYSA-N |
Product Overview
Thalrugosaminine (CAS 22226-73-9), with molecular formula C39H44N2O7 and molecular weight 652.31 g/mol. IUPAC: 6,19,20,21,25-pentamethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaene.
Chemical Property Profile of Thalrugosaminine
Property Insights of Thalrugosaminine
The XLogP value of 6.6 indicates that Thalrugosaminine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalrugosaminine. Following Lipinski's Rule of Five, Thalrugosaminine has 0 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 Thalrugosaminine?
The CAS number of Thalrugosaminine is 22226-73-9.
What is the molecular formula of Thalrugosaminine?
The molecular formula of Thalrugosaminine is C39H44N2O7.
What is the molecular weight of Thalrugosaminine?
The molecular weight of Thalrugosaminine is 652.31 g/mol.
Where can I buy Thalrugosaminine?
You can request a quote for Thalrugosaminine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalrugosaminine?
Yes, KEHONG BIO provides custom synthesis services for Thalrugosaminine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.