6,7-Dihydroneridienone A
TL;DR: 6,7-Dihydroneridienone A (CAS 72959-46-7) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 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-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 6,7-Dihydroneridienone A, 6,7-Dihydroneridienone, 6,7-DihydroneridienoneA, 67-Dihydroneridienone A, 12beta-Hydroxypregna-4,16-diene-3,20-dione
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 72959-46-7 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | ZTDAXWJYRPVTPO-GGLFOPPFSA-N |
Product Overview
6,7-Dihydroneridienone A (CAS 72959-46-7), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6,7-Dihydroneridienone A
Property Insights of 6,7-Dihydroneridienone A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydroneridienone A. With a topological polar surface area (TPSA) of 54.4 Ų, 6,7-Dihydroneridienone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dihydroneridienone 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 6,7-Dihydroneridienone A?
The CAS number of 6,7-Dihydroneridienone A is 72959-46-7.
What is the molecular formula of 6,7-Dihydroneridienone A?
The molecular formula of 6,7-Dihydroneridienone A is C21H28O3.
What is the molecular weight of 6,7-Dihydroneridienone A?
The molecular weight of 6,7-Dihydroneridienone A is 328.20 g/mol.
Where can I buy 6,7-Dihydroneridienone A?
You can request a quote for 6,7-Dihydroneridienone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydroneridienone A?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydroneridienone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.