17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one
TL;DR: 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one (CAS 144356-81-0) is a chemical compound with molecular formula C30H46O9 and molecular weight 550.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-AGOMP, 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one, 17alpha-Acetoxy-3beta-((beta-D-glucopyranosyl)oxy)-6alpha-methylpregn-4-en-20-one, 3-(Hexopyranosyloxy)-6-methyl-20-oxopregn-4-en-17-yl acetate, [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C30H46O9 |
|---|---|
| Molecular Weight | 550.31 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.3142 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 144356-81-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C |
| InChIKey | GZVYXJLJHZATJE-UGOZLWAQSA-N |
Product Overview
17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one (CAS 144356-81-0), with molecular formula C30H46O9 and molecular weight 550.31 g/mol. IUPAC: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one
Property Insights of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one. The TPSA of 143.0 Ų indicates high polarity, suggesting 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one has 4 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 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one?
The CAS number of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one is 144356-81-0.
What is the molecular formula of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one?
The molecular formula of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one is C30H46O9.
What is the molecular weight of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one?
The molecular weight of 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one is 550.31 g/mol.
Where can I buy 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one?
You can request a quote for 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.