KST-1A2884
TL;DR: KST-1A2884 (CAS 22820-35-5) is a chemical compound with molecular formula C27H40O9 and molecular weight 508.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A2884, 3-beta,5-beta,14-beta,19,21-Pentahydroxypregnan-20-one 3,19,21-triacetate, 3-beta,19,21-Triacetoxy-14-iso-17-isopregnane-5,14-diol-20-one, 5-beta,14-beta-Pregnan-20-one, 3-beta,5,14,19,21-pentahydroxy-, 3,19,21-triacetate, (3
| Molecular Formula | C27H40O9 |
|---|---|
| Molecular Weight | 508.27 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.26724 |
| Heavy Atoms | 36 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 22820-35-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@]4([C@@]3(CC[C@@H](C4)OC(=O)C)COC(=O)C)O)C)O |
| InChIKey | ZTWWQCOHUBHIGI-QNFQAGAISA-N |
Product Overview
KST-1A2884 (CAS 22820-35-5), with molecular formula C27H40O9 and molecular weight 508.27 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of KST-1A2884
Property Insights of KST-1A2884
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A2884. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A2884. Following Lipinski's Rule of Five, KST-1A2884 has 2 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-1A2884?
The CAS number of KST-1A2884 is 22820-35-5.
What is the molecular formula of KST-1A2884?
The molecular formula of KST-1A2884 is C27H40O9.
What is the molecular weight of KST-1A2884?
The molecular weight of KST-1A2884 is 508.27 g/mol.
Where can I buy KST-1A2884?
You can request a quote for KST-1A2884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A2884?
Yes, KEHONG BIO provides custom synthesis services for KST-1A2884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.