Tortuosine
TL;DR: Tortuosine (CAS 109644-38-4) is a chemical compound with molecular formula C18H18NO3+ and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,14-trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaene
Also Known As: Tortuosine, Tetrahydroproscillaridin, NCI60_038019, 4,5,14-trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaene, 2,9,10-trimethoxy-1,2,3,6,7,12,15,16-octadehydrogalanthan-6-ium
| Molecular Formula | C18H18NO3+ |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12866 |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 109644-38-4 |
|---|---|
| SMILES | COC1=CC2=C3C(=C1)C4=CC(=C(C=C4C=[N+]3CC2)OC)OC |
| InChIKey | ZHPPJUUSHATRPV-UHFFFAOYSA-N |
Product Overview
Tortuosine (CAS 109644-38-4), with molecular formula C18H18NO3+ and molecular weight 296.13 g/mol. IUPAC: 4,5,14-trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaene.
Chemical Property Profile of Tortuosine
Property Insights of Tortuosine
The XLogP value of 3.5 indicates that Tortuosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.6 Ų, Tortuosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tortuosine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tortuosine?
The CAS number of Tortuosine is 109644-38-4.
What is the molecular formula of Tortuosine?
The molecular formula of Tortuosine is C18H18NO3+.
What is the molecular weight of Tortuosine?
The molecular weight of Tortuosine is 296.13 g/mol.
Where can I buy Tortuosine?
You can request a quote for Tortuosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tortuosine?
Yes, KEHONG BIO provides custom synthesis services for Tortuosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.