Nicocortonide
TL;DR: Nicocortonide (CAS 65415-41-0) is a chemical compound with molecular formula C31H37NO7 and molecular weight 535.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1R,2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-prop-1-enyl-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] pyridine-4-carboxylate
Also Known As: Nicocortonide, 11beta,14,17,21-Tetrahydroxypregn-4-ene-3,20-dione cyclic 14,17-acetal with crotonaldehyde, 21-isonicotinate, Pregn-4-ene-3,20-dione,14,17-[2-butenylidenebis(oxy)]-11-hydroxy-21-[(4-pyridinylcarbonyl)oxy]-, (11b)- (9CI)
| Molecular Formula | C31H37NO7 |
|---|---|
| Molecular Weight | 535.26 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.257 |
| Heavy Atoms | 39 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 65415-41-0 |
|---|---|
| SMILES | CC=CC1O[C@@]23CC[C@]([C@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)(O1)C(=O)COC(=O)C6=CC=NC=C6 |
| InChIKey | LZHLAFIPUJPCBN-MOPCRLEQSA-N |
Product Overview
Nicocortonide (CAS 65415-41-0), with molecular formula C31H37NO7 and molecular weight 535.26 g/mol. IUPAC: [2-[(1R,2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-prop-1-enyl-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] pyridine-4-carboxylate.
Chemical Property Profile of Nicocortonide
Property Insights of Nicocortonide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicocortonide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicocortonide. Following Lipinski's Rule of Five, Nicocortonide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicocortonide?
The CAS number of Nicocortonide is 65415-41-0.
What is the molecular formula of Nicocortonide?
The molecular formula of Nicocortonide is C31H37NO7.
What is the molecular weight of Nicocortonide?
The molecular weight of Nicocortonide is 535.26 g/mol.
Where can I buy Nicocortonide?
You can request a quote for Nicocortonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicocortonide?
Yes, KEHONG BIO provides custom synthesis services for Nicocortonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.