Thalidasine
TL;DR: Thalidasine (CAS 20174-62-3) 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.
(3S,22S)-10,11,15,16,27-pentamethoxy-4,21-dimethyl-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
Also Known As: Thalidasine, Thalidasin, Thalidazine, O-Methylthalfetidine, (-)-Thalidasine
| Molecular Formula | C39H44N2O7 |
|---|---|
| Molecular Weight | 652.31 g/mol |
| LogP | 6.4 |
| 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 | 20174-62-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC |
| InChIKey | SVQMVSCWYACSCP-KYJUHHDHSA-N |
Product Overview
Thalidasine (CAS 20174-62-3), with molecular formula C39H44N2O7 and molecular weight 652.31 g/mol. IUPAC: (3S,22S)-10,11,15,16,27-pentamethoxy-4,21-dimethyl-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.
Chemical Property Profile of Thalidasine
Property Insights of Thalidasine
The XLogP value of 6.4 indicates that Thalidasine 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 Thalidasine. Following Lipinski's Rule of Five, Thalidasine 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 Thalidasine?
The CAS number of Thalidasine is 20174-62-3.
What is the molecular formula of Thalidasine?
The molecular formula of Thalidasine is C39H44N2O7.
What is the molecular weight of Thalidasine?
The molecular weight of Thalidasine is 652.31 g/mol.
Where can I buy Thalidasine?
You can request a quote for Thalidasine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalidasine?
Yes, KEHONG BIO provides custom synthesis services for Thalidasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.