Tubadil
TL;DR: Tubadil (CAS 57-94-3) is a chemical compound with molecular formula C37H42Cl2N2O6 and molecular weight 680.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol dichloride
Also Known As: Delacurarine, Tubadil, Amelizol, Tubarine, Curarin-haf
| Molecular Formula | C37H42Cl2N2O6 |
|---|---|
| Molecular Weight | 680.24 g/mol |
| LogP | -0.71 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 680.242 |
| Heavy Atoms | 47 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 57-94-3 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-] |
| InChIKey | GXFZCDMWGMFGFL-KKXMJGKMSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tubadil (CAS 57-94-3), with molecular formula C37H42Cl2N2O6 and molecular weight 680.24 g/mol. IUPAC: (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol dichloride.
Chemical Property Profile of Tubadil
Property Insights of Tubadil
The XLogP value of -0.71 indicates that Tubadil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tubadil. Following Lipinski's Rule of Five, Tubadil has 3 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 Tubadil?
The CAS number of Tubadil is 57-94-3.
What is the molecular formula of Tubadil?
The molecular formula of Tubadil is C37H42Cl2N2O6.
What is the molecular weight of Tubadil?
The molecular weight of Tubadil is 680.24 g/mol.
Where can I buy Tubadil?
You can request a quote for Tubadil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubadil?
Yes, KEHONG BIO provides custom synthesis services for Tubadil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.