KST-1A6117
TL;DR: KST-1A6117 (CAS 5688-47-1) is a chemical compound with molecular formula C20H24O and molecular weight 280.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: KST-1A6117, (17, A)-17-ethynylestra-1(10),2,4-trien-17-ol, 17alpha-19-Norpregna-1(10),2,4-trien-20-yn-17-ol, (17R)-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol
| Molecular Formula | C20H24O |
|---|---|
| Molecular Weight | 280.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.1827 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 5688-47-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC=CC=C34 |
| InChIKey | NSMVEAARVNLGKY-SLHNCBLASA-N |
Product Overview
KST-1A6117 (CAS 5688-47-1), with molecular formula C20H24O and molecular weight 280.18 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of KST-1A6117
Property Insights of KST-1A6117
The XLogP value of 4.0 indicates that KST-1A6117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, KST-1A6117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A6117 has 1 hydrogen bond donor(s) and 1 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-1A6117?
The CAS number of KST-1A6117 is 5688-47-1.
What is the molecular formula of KST-1A6117?
The molecular formula of KST-1A6117 is C20H24O.
What is the molecular weight of KST-1A6117?
The molecular weight of KST-1A6117 is 280.18 g/mol.
Where can I buy KST-1A6117?
You can request a quote for KST-1A6117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6117?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.