KST-1A3954
TL;DR: KST-1A3954 (CAS 2820-85-1) is a chemical compound with molecular formula C23H31FO5 and molecular weight 406.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: KST-1A3954, (8r,9s,10r,13s,14s,16s,17r)-16-fluoro-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrodispiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-3(2h)-one, (1R,2S,3aS,3bR,9aR,9bS,11aS)-2-Fluoro-9a,11a-dimethyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydrodispiro[cyclopenta[a]phenanthrene-1,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-7(3bH)-one
| Molecular Formula | C23H31FO5 |
|---|---|
| Molecular Weight | 406.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 406.21555 |
| Heavy Atoms | 29 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 2820-85-1 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@]45C6(COCO6)OCO5)F)C |
| InChIKey | DUZDHQGHFJXJSZ-PNTQTDCASA-N |
Product Overview
KST-1A3954 (CAS 2820-85-1), with molecular formula C23H31FO5 and molecular weight 406.22 g/mol.
Chemical Property Profile of KST-1A3954
Property Insights of KST-1A3954
The XLogP value of 3.0 indicates that KST-1A3954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, KST-1A3954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A3954 has 0 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-1A3954?
The CAS number of KST-1A3954 is 2820-85-1.
What is the molecular formula of KST-1A3954?
The molecular formula of KST-1A3954 is C23H31FO5.
What is the molecular weight of KST-1A3954?
The molecular weight of KST-1A3954 is 406.22 g/mol.
Where can I buy KST-1A3954?
You can request a quote for KST-1A3954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3954?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.