Nicocortonide acetate
TL;DR: Nicocortonide acetate (CAS 28202-60-0) is a chemical compound with molecular formula C27H36O7 and molecular weight 472.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-[(E)-prop-1-enyl]-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] acetate
Also Known As: Nicocortonide acetate, Crotonaldehyde, cyclic 14,17-acetal with 11beta,14,17,21-tetrahydroxypregn-4-ene-3,20-dione 21-acetate, Pregn-4-ene-3,20-dione, 21-(acetyloxy)-14,17-(2-butenylidenebis(oxy))-11-hydroxy-, (11beta)-, [2-[(2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-[(E)-prop-1-enyl]-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] acetate, Pregn-4-ene-3,20-dione, 11beta,14,17,21-tetrahydroxy-, cyclic 14,17-acetal with crotonaldehyde, 21-acetate
| Molecular Formula | C27H36O7 |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 3.4317 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.2461 |
| Heavy Atoms | 34 |
| Complexity | 983.463 |
Chemical Identifiers
| CAS Number | 28202-60-0 |
|---|---|
| SMILES | C/C=C/C1O[C@@]2(CCC3([C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)O1)C(=O)COC(=O)C |
Product Overview
Nicocortonide acetate (CAS 28202-60-0), with molecular formula C27H36O7 and molecular weight 472.25 g/mol. IUPAC: [2-[(2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-[(E)-prop-1-enyl]-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Nicocortonide acetate
Property Insights of Nicocortonide acetate
The XLogP value of 3.4317 indicates that Nicocortonide acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicocortonide acetate. Following Lipinski's Rule of Five, Nicocortonide acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicocortonide acetate?
The CAS number of Nicocortonide acetate is 28202-60-0.
What is the molecular formula of Nicocortonide acetate?
The molecular formula of Nicocortonide acetate is C27H36O7.
What is the molecular weight of Nicocortonide acetate?
The molecular weight of Nicocortonide acetate is 472.25 g/mol.
Where can I buy Nicocortonide acetate?
You can request a quote for Nicocortonide acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicocortonide acetate?
Yes, KEHONG BIO provides custom synthesis services for Nicocortonide acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.