KST-1A0595
TL;DR: KST-1A0595 (CAS 1122-04-9) is a chemical compound with molecular formula C42H68O15 and molecular weight 812.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: KST-1A0595, (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 2,4-Thiophenedicarboxylicacid,5-amino-3-methyl-,2,4-dimethyl ester, (3, A,5xi,9
| Molecular Formula | C42H68O15 |
|---|---|
| Molecular Weight | 812.46 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 812.4558 |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 1122-04-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@](C1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)C(=O)O)C)C)(C)CO)O |
| InChIKey | UXNJZCIDKFVLKW-PFDZANHXSA-N |
Product Overview
KST-1A0595 (CAS 1122-04-9), with molecular formula C42H68O15 and molecular weight 812.46 g/mol. IUPAC: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of KST-1A0595
Property Insights of KST-1A0595
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0595. The TPSA of 256.0 Ų indicates high polarity, suggesting KST-1A0595 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A0595 has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A0595?
The CAS number of KST-1A0595 is 1122-04-9.
What is the molecular formula of KST-1A0595?
The molecular formula of KST-1A0595 is C42H68O15.
What is the molecular weight of KST-1A0595?
The molecular weight of KST-1A0595 is 812.46 g/mol.
Where can I buy KST-1A0595?
You can request a quote for KST-1A0595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0595?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.