![(25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate structure](/static/products/9442/94426-01-4.webp)
(25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate
TL;DR: (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate (CAS 94426-01-4) is a chemical compound with molecular formula C37H59NO9 and molecular weight 661.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,6R)-6-[(7S,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
Also Known As: (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate, [(2R,6R)-6-[(7S,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate, 7-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)-3-oxocholest-4-en-26-yl acetate
| Molecular Formula | C37H59NO9 |
|---|---|
| Molecular Weight | 661.42 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 661.419 |
| Heavy Atoms | 47 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 94426-01-4 |
|---|---|
| SMILES | C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2[C@H](CC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C)COC(=O)C |
| InChIKey | BRNQQEJYQPMDNG-NDMFOUGWSA-N |
Product Overview
(25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate (CAS 94426-01-4), with molecular formula C37H59NO9 and molecular weight 661.42 g/mol. IUPAC: [(2R,6R)-6-[(7S,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate.
Chemical Property Profile of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate
Property Insights of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate
The XLogP value of 4.9 indicates that (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate 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 (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate?
The CAS number of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate is 94426-01-4.
What is the molecular formula of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate?
The molecular formula of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate is C37H59NO9.
What is the molecular weight of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate?
The molecular weight of (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate is 661.42 g/mol.
Where can I buy (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate?
You can request a quote for (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (25R)-7beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}oxy)-3-oxo-8alpha,9beta,14beta-cholest-4-en-26-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.