Prieurianin acetate
TL;DR: Prieurianin acetate (CAS 99615-90-4) is a chemical compound with molecular formula C40H52O17 and molecular weight 804.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-acetyloxy-3-methylpentanoate
Also Known As: Prieurianin acetate, KBio2_006186, A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-12-((2-(acetyloxy)-3-methyl-1-oxopentyl)oxy)-21,23-epoxy-11-(formyloxy)-14-hydroxy-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-, [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-acetyloxy-3-methylpentanoate
| Molecular Formula | C40H52O17 |
|---|---|
| Molecular Weight | 804.32 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 19 |
| Exact Mass | 804.32043 |
| Heavy Atoms | 57 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 99615-90-4 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)OC(=O)C |
| InChIKey | NIDUTZAIIODVCH-UHFFFAOYSA-N |
Product Overview
Prieurianin acetate (CAS 99615-90-4), with molecular formula C40H52O17 and molecular weight 804.32 g/mol. IUPAC: [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-acetyloxy-3-methylpentanoate.
Chemical Property Profile of Prieurianin acetate
Property Insights of Prieurianin acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prieurianin acetate. The TPSA of 235.0 Ų indicates high polarity, suggesting Prieurianin acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prieurianin acetate has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prieurianin acetate?
The CAS number of Prieurianin acetate is 99615-90-4.
What is the molecular formula of Prieurianin acetate?
The molecular formula of Prieurianin acetate is C40H52O17.
What is the molecular weight of Prieurianin acetate?
The molecular weight of Prieurianin acetate is 804.32 g/mol.
Where can I buy Prieurianin acetate?
You can request a quote for Prieurianin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prieurianin acetate?
Yes, KEHONG BIO provides custom synthesis services for Prieurianin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.