KST-1A2897
TL;DR: KST-1A2897 (CAS 22950-51-2) is a chemical compound with molecular formula C21H31F3O3 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: KST-1A2897, (5, A,17, A)-17-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)androstan-3-one, 17-Hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)androstan-3-one
| Molecular Formula | C21H31F3O3 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.22253 |
| Heavy Atoms | 27 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 22950-51-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(C(=O)C4)C(C(F)(F)F)O)C |
| InChIKey | HTYHKJJOVXZDHV-QGFNMJCVSA-N |
Product Overview
KST-1A2897 (CAS 22950-51-2), with molecular formula C21H31F3O3 and molecular weight 388.22 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of KST-1A2897
Property Insights of KST-1A2897
The XLogP value of 4.7 indicates that KST-1A2897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, KST-1A2897 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A2897 has 2 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 KST-1A2897?
The CAS number of KST-1A2897 is 22950-51-2.
What is the molecular formula of KST-1A2897?
The molecular formula of KST-1A2897 is C21H31F3O3.
What is the molecular weight of KST-1A2897?
The molecular weight of KST-1A2897 is 388.22 g/mol.
Where can I buy KST-1A2897?
You can request a quote for KST-1A2897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A2897?
Yes, KEHONG BIO provides custom synthesis services for KST-1A2897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.