Nimocinol
TL;DR: Nimocinol (CAS 95260-96-1) is a chemical compound with molecular formula C28H36O5 and molecular weight 452.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Also Known As: Nimocinol, (+)-Nimocinol, NIMONOL, [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate, 17-(Furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate
| Molecular Formula | C28H36O5 |
|---|---|
| Molecular Weight | 452.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.2563 |
| Heavy Atoms | 33 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 95260-96-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C)O |
| InChIKey | GDMYRVKWBYREMU-SAGQAIRCSA-N |
Product Overview
Nimocinol (CAS 95260-96-1), with molecular formula C28H36O5 and molecular weight 452.26 g/mol. IUPAC: [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate.
Chemical Property Profile of Nimocinol
Property Insights of Nimocinol
The XLogP value of 4.7 indicates that Nimocinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimocinol. Following Lipinski's Rule of Five, Nimocinol has 1 hydrogen bond donor(s) and 5 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 Nimocinol?
The CAS number of Nimocinol is 95260-96-1.
What is the molecular formula of Nimocinol?
The molecular formula of Nimocinol is C28H36O5.
What is the molecular weight of Nimocinol?
The molecular weight of Nimocinol is 452.26 g/mol.
Where can I buy Nimocinol?
You can request a quote for Nimocinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimocinol?
Yes, KEHONG BIO provides custom synthesis services for Nimocinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.