Tetraacetylsecologanin
TL;DR: Tetraacetylsecologanin (CAS 27856-66-2) is a chemical compound with molecular formula C25H32O14 and molecular weight 556.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: Tetraacetylsecologanin, Secologanoside, Secologanin tetraacetate, Loniceroside, tetraacetate, O,O,O,O-Tetraacetylsecologanin
| Molecular Formula | C25H32O14 |
|---|---|
| Molecular Weight | 556.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 556.1792 |
| Heavy Atoms | 39 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 27856-66-2 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2C(C(C(=CO2)C(=O)OC)CC=O)C=C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XQVQOVDNWBXCHM-FYXMLKLGSA-N |
Product Overview
Tetraacetylsecologanin (CAS 27856-66-2), with molecular formula C25H32O14 and molecular weight 556.18 g/mol. IUPAC: methyl 3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Tetraacetylsecologanin
Property Insights of Tetraacetylsecologanin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraacetylsecologanin. The TPSA of 176.0 Ų indicates high polarity, suggesting Tetraacetylsecologanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetraacetylsecologanin has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraacetylsecologanin?
The CAS number of Tetraacetylsecologanin is 27856-66-2.
What is the molecular formula of Tetraacetylsecologanin?
The molecular formula of Tetraacetylsecologanin is C25H32O14.
What is the molecular weight of Tetraacetylsecologanin?
The molecular weight of Tetraacetylsecologanin is 556.18 g/mol.
Where can I buy Tetraacetylsecologanin?
You can request a quote for Tetraacetylsecologanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraacetylsecologanin?
Yes, KEHONG BIO provides custom synthesis services for Tetraacetylsecologanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.