KST-1A0850
TL;DR: KST-1A0850 (CAS 109771-10-0) is a chemical compound with molecular formula C33H54O13 and molecular weight 658.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R,9R,10R,13R,17S)-2,5,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Also Known As: KST-1A0850, (2, A,3, A,5, A,14xi,22r)-2,5,14,20,22,25-hexahydroxy-6-oxocholest-7-en-3-yl
| Molecular Formula | C33H54O13 |
|---|---|
| Molecular Weight | 658.36 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 658.35645 |
| Heavy Atoms | 46 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 109771-10-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@@]4([C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)O)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O |
| InChIKey | AYZWKPWGZYTYNN-UHWXVGLPSA-N |
Product Overview
KST-1A0850 (CAS 109771-10-0), with molecular formula C33H54O13 and molecular weight 658.36 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,17S)-2,5,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one.
Chemical Property Profile of KST-1A0850
Property Insights of KST-1A0850
The XLogP value of -1.9 indicates that KST-1A0850 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting KST-1A0850 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A0850 has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A0850?
The CAS number of KST-1A0850 is 109771-10-0.
What is the molecular formula of KST-1A0850?
The molecular formula of KST-1A0850 is C33H54O13.
What is the molecular weight of KST-1A0850?
The molecular weight of KST-1A0850 is 658.36 g/mol.
Where can I buy KST-1A0850?
You can request a quote for KST-1A0850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0850?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.