Pseudaconine tetraacetate
TL;DR: Pseudaconine tetraacetate (CAS 38146-91-7) is a chemical compound with molecular formula C33H49NO12 and molecular weight 651.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5,8-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-14-yl] acetate
Also Known As: Pseudaconine tetraacetate, Tetraacetylpseudaconine, O-Debenzoylindaconitine triacetate, Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, tetraacetate (ester), (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-, 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrayl tetraacetate
| Molecular Formula | C33H49NO12 |
|---|---|
| Molecular Weight | 651.33 g/mol |
| LogP | 1.525 |
| Topological Polar Surface Area | 145.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 651.3255 |
| Heavy Atoms | 46 |
| Complexity | 1276.8718 |
Chemical Identifiers
| CAS Number | 38146-91-7 |
|---|---|
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C)OC(=O)C)OC)OC(=O)C)OC)OC)OC(=O)C)COC |
Product Overview
Pseudaconine tetraacetate (CAS 38146-91-7), with molecular formula C33H49NO12 and molecular weight 651.33 g/mol. IUPAC: [4,5,8-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-14-yl] acetate.
Chemical Property Profile of Pseudaconine tetraacetate
Property Insights of Pseudaconine tetraacetate
The XLogP value of 1.525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudaconine tetraacetate. The TPSA of 145.36 Ų indicates high polarity, suggesting Pseudaconine tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudaconine tetraacetate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudaconine tetraacetate?
The CAS number of Pseudaconine tetraacetate is 38146-91-7.
What is the molecular formula of Pseudaconine tetraacetate?
The molecular formula of Pseudaconine tetraacetate is C33H49NO12.
What is the molecular weight of Pseudaconine tetraacetate?
The molecular weight of Pseudaconine tetraacetate is 651.33 g/mol.
Where can I buy Pseudaconine tetraacetate?
You can request a quote for Pseudaconine tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudaconine tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for Pseudaconine tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.