Neridienone A
TL;DR: Neridienone A (CAS 53823-05-5) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Neridienone A, neridienone-A, Neridienon A, 12beta-hydroxypregna-4,6,16-triene-3,20-dione, 12-beta-Hydroxypregna-4,6,16-triene-3,20-dione
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 53823-05-5 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | UYGZZVKOVWATFR-GGLFOPPFSA-N |
Product Overview
Neridienone A (CAS 53823-05-5), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: (8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Neridienone A
Property Insights of Neridienone A
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neridienone A. With a topological polar surface area (TPSA) of 54.4 Ų, Neridienone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neridienone A has 1 hydrogen bond donor(s) and 3 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 Neridienone A?
The CAS number of Neridienone A is 53823-05-5.
What is the molecular formula of Neridienone A?
The molecular formula of Neridienone A is C21H26O3.
What is the molecular weight of Neridienone A?
The molecular weight of Neridienone A is 326.19 g/mol.
Where can I buy Neridienone A?
You can request a quote for Neridienone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neridienone A?
Yes, KEHONG BIO provides custom synthesis services for Neridienone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.