Thalibrunimine
TL;DR: Thalibrunimine (CAS 60019-20-7) 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.
(14S)-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-tridecaen-11-ol
Also Known As: Thalibrunimine, KST-1A6389, AE-508/21136031, (2,6-dibutoxypyridin-4-yl)(morpholin-4-yl)methanone, (1
| Molecular Formula | C38H40N2O8 |
|---|---|
| Molecular Weight | 652.28 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.27844 |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 60019-20-7 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4O)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5 |
| InChIKey | AJLCEFIZFVWDOQ-NDEPHWFRSA-N |
Product Overview
Thalibrunimine (CAS 60019-20-7), with molecular formula C38H40N2O8 and molecular weight 652.28 g/mol. IUPAC: (14S)-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-tridecaen-11-ol.
Chemical Property Profile of Thalibrunimine
Property Insights of Thalibrunimine
The XLogP value of 5.7 indicates that Thalibrunimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalibrunimine. Following Lipinski's Rule of Five, Thalibrunimine has 1 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 Thalibrunimine?
The CAS number of Thalibrunimine is 60019-20-7.
What is the molecular formula of Thalibrunimine?
The molecular formula of Thalibrunimine is C38H40N2O8.
What is the molecular weight of Thalibrunimine?
The molecular weight of Thalibrunimine is 652.28 g/mol.
Where can I buy Thalibrunimine?
You can request a quote for Thalibrunimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalibrunimine?
Yes, KEHONG BIO provides custom synthesis services for Thalibrunimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.