Methyltubocurarinum
TL;DR: Methyltubocurarinum (CAS 52995-72-9) is a chemical compound with molecular formula C39H45N2O6+ and molecular weight 637.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.026,30.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18,20,23,25,30,32-dodecaene
Also Known As: Methyltubocurarinum, KST-1A5392, (1s,16r)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.016,34.026,30]hexatriaconta-3,5,8(34),9,11,18,20,23,25,30,32,35-dodecaene(non-preferred name)
| Molecular Formula | C39H45N2O6+ |
|---|---|
| Molecular Weight | 637.33 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 637.32776 |
| Heavy Atoms | 47 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 52995-72-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(O3)C=C7)OC)[N+](CCC6=CC(=C5OC)OC)(C)C)OC |
| InChIKey | GVOAZVYCWIRHSQ-IOWSJCHKSA-N |
Product Overview
Methyltubocurarinum (CAS 52995-72-9), with molecular formula C39H45N2O6+ and molecular weight 637.33 g/mol. IUPAC: (1S,16R)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.026,30.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18,20,23,25,30,32-dodecaene.
Chemical Property Profile of Methyltubocurarinum
Property Insights of Methyltubocurarinum
The XLogP value of 6.7 indicates that Methyltubocurarinum is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Methyltubocurarinum exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyltubocurarinum has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyltubocurarinum?
The CAS number of Methyltubocurarinum is 52995-72-9.
What is the molecular formula of Methyltubocurarinum?
The molecular formula of Methyltubocurarinum is C39H45N2O6+.
What is the molecular weight of Methyltubocurarinum?
The molecular weight of Methyltubocurarinum is 637.33 g/mol.
Where can I buy Methyltubocurarinum?
You can request a quote for Methyltubocurarinum directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyltubocurarinum?
Yes, KEHONG BIO provides custom synthesis services for Methyltubocurarinum and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.