Flumedroxone
TL;DR: Flumedroxone (CAS 1596-98-1) is a chemical compound with molecular formula C22H29F3O3 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,10R,13S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Flumedroxone, KST-1A1794, (6, A,8xi,9xi,14xi,17, A)-17-hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dione
| Molecular Formula | C22H29F3O3 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.20688 |
| Heavy Atoms | 28 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 1596-98-1 |
|---|---|
| SMILES | CC(=O)[C@@]1(CCC2[C@@]1(CCC3C2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C)O |
| InChIKey | CDZJOBWKHSYNMO-BQVNIZPZSA-N |
Product Overview
Flumedroxone (CAS 1596-98-1), with molecular formula C22H29F3O3 and molecular weight 398.21 g/mol. IUPAC: (6S,10R,13S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Flumedroxone
Property Insights of Flumedroxone
The XLogP value of 3.9 indicates that Flumedroxone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Flumedroxone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flumedroxone has 1 hydrogen bond donor(s) and 6 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 Flumedroxone?
The CAS number of Flumedroxone is 1596-98-1.
What is the molecular formula of Flumedroxone?
The molecular formula of Flumedroxone is C22H29F3O3.
What is the molecular weight of Flumedroxone?
The molecular weight of Flumedroxone is 398.21 g/mol.
Where can I buy Flumedroxone?
You can request a quote for Flumedroxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flumedroxone?
Yes, KEHONG BIO provides custom synthesis services for Flumedroxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.