Tortumine
TL;DR: Tortumine (CAS 51856-89-4) is a chemical compound with molecular formula C28H43NO8 and molecular weight 521.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate
Also Known As: Tortumine, Delcorine acetate, O-Acetyldelcorine, Aconitan-6-ol, 20-ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-methylenebis(oxy))-, acetate (ester), (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C28H43NO8 |
|---|---|
| Molecular Weight | 521.30 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.2989 |
| Heavy Atoms | 37 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 51856-89-4 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC(=O)C)OC)COC |
| InChIKey | WDWHXMNLXNLBGT-UHFFFAOYSA-N |
Product Overview
Tortumine (CAS 51856-89-4), with molecular formula C28H43NO8 and molecular weight 521.30 g/mol. IUPAC: [14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate.
Chemical Property Profile of Tortumine
Property Insights of Tortumine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tortumine. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tortumine. Following Lipinski's Rule of Five, Tortumine 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 Tortumine?
The CAS number of Tortumine is 51856-89-4.
What is the molecular formula of Tortumine?
The molecular formula of Tortumine is C28H43NO8.
What is the molecular weight of Tortumine?
The molecular weight of Tortumine is 521.30 g/mol.
Where can I buy Tortumine?
You can request a quote for Tortumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tortumine?
Yes, KEHONG BIO provides custom synthesis services for Tortumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.