KST-1A0554
TL;DR: KST-1A0554 (CAS 103437-26-9) is a chemical compound with molecular formula C30H41FO8 and molecular weight 548.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8'S,9'R,10'S,11'S,13'S,14'S,16'S,17'R)-9'-fluoro-11'-hydroxy-10',13',16'-trimethyl-17'-propanoyloxyspiro[1,3-dioxolane-2,3'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-17'-yl]-2-oxoethyl] propanoate
Also Known As: KST-1A0554, (8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[(propanoyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl propanoate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, cyclic 3-(1,2-ethanediyl acetal), (11beta,16beta)-, (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-Fluoro-10-hydroxy-2,9a,11a-trimethyl-1-[(propanoyloxy)acetyl]-1,2,3,3a,3b,4,5,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-yl propanoate, [2-[(8'S,9'R,10'S,11'S,13'S,14'S,16'S,17'R)-9'-fluoro-11'-hydroxy-10',13',16'-trimethyl-17'-propanoyloxyspiro[1,3-dioxolane-2,3'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-17'-yl]-2-oxoethyl] propanoate
| Molecular Formula | C30H41FO8 |
|---|---|
| Molecular Weight | 548.28 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.27856 |
| Heavy Atoms | 39 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 103437-26-9 |
|---|---|
| SMILES | CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC5(C=C[C@@]43C)OCCO5)F)O)C)C)OC(=O)CC |
| InChIKey | CRHRKOKYFOXVNJ-QAKDJFOASA-N |
Product Overview
KST-1A0554 (CAS 103437-26-9), with molecular formula C30H41FO8 and molecular weight 548.28 g/mol. IUPAC: [2-[(8'S,9'R,10'S,11'S,13'S,14'S,16'S,17'R)-9'-fluoro-11'-hydroxy-10',13',16'-trimethyl-17'-propanoyloxyspiro[1,3-dioxolane-2,3'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-17'-yl]-2-oxoethyl] propanoate.
Chemical Property Profile of KST-1A0554
Property Insights of KST-1A0554
The XLogP value of 3.6 indicates that KST-1A0554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0554. Following Lipinski's Rule of Five, KST-1A0554 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A0554?
The CAS number of KST-1A0554 is 103437-26-9.
What is the molecular formula of KST-1A0554?
The molecular formula of KST-1A0554 is C30H41FO8.
What is the molecular weight of KST-1A0554?
The molecular weight of KST-1A0554 is 548.28 g/mol.
Where can I buy KST-1A0554?
You can request a quote for KST-1A0554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0554?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.