Thalmirabine
TL;DR: Thalmirabine (CAS 75352-27-1) is a chemical compound with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
Also Known As: Thalmirabine, 4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol, 4H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-15,18-etheno-9,13-metheno-19H-pyrido(2,3,4-tu)-1,14,6-benzodioxaazacyclodocosin-23-ol,5,6,7,8,19a,20,21,22-octahydro-12,24,25,31,32-pentamethoxy-6,20-dimethyl-, (7S,19aS)-, 4H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-15,18-etheno-9,13-metheno-19H-pyrido(2,3,4-tu)-1,14,6-benzodioxaazacyclodocosin-23-ol,5,6,7,8,19a,20,21,22-octahydro-12,24,25,31,32-pentamethoxy-6,20-dimethyl-,(7S,19aS)
| Molecular Formula | C39H44N2O8 |
|---|---|
| Molecular Weight | 668.31 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 668.30975 |
| Heavy Atoms | 49 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 75352-27-1 |
|---|---|
| SMILES | CN1CCC2=C3C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CCN6C)OC3=C(C(=C2O)OC)OC)OC)OC)OC |
| InChIKey | CLAUJNOKVABGOJ-UHFFFAOYSA-N |
Product Overview
Thalmirabine (CAS 75352-27-1), with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol. IUPAC: 4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol.
Chemical Property Profile of Thalmirabine
Property Insights of Thalmirabine
The XLogP value of 6.3 indicates that Thalmirabine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalmirabine. Following Lipinski's Rule of Five, Thalmirabine 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 Thalmirabine?
The CAS number of Thalmirabine is 75352-27-1.
What is the molecular formula of Thalmirabine?
The molecular formula of Thalmirabine is C39H44N2O8.
What is the molecular weight of Thalmirabine?
The molecular weight of Thalmirabine is 668.31 g/mol.
Where can I buy Thalmirabine?
You can request a quote for Thalmirabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalmirabine?
Yes, KEHONG BIO provides custom synthesis services for Thalmirabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.