KST-1A8816
TL;DR: KST-1A8816 (CAS 90586-17-7) is a chemical compound with molecular formula C31H48O3 and molecular weight 468.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,13R,14R,17R)-7-hydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A8816, (1s)-7-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-4(9),5,7-trien-1-yl acetate, [(3S,13R,14R,17R)-7-hydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C31H48O3 |
|---|---|
| Molecular Weight | 468.36 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.36035 |
| Heavy Atoms | 34 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 90586-17-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C4CC[C@@H](C(C4=CC(=C32)O)(C)C)OC(=O)C)C)C |
| InChIKey | MYBJDGDUQDWHJQ-LAGLKLLZSA-N |
Product Overview
KST-1A8816 (CAS 90586-17-7), with molecular formula C31H48O3 and molecular weight 468.36 g/mol. IUPAC: [(3S,13R,14R,17R)-7-hydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of KST-1A8816
Property Insights of KST-1A8816
The XLogP value of 9.7 indicates that KST-1A8816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, KST-1A8816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A8816 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A8816?
The CAS number of KST-1A8816 is 90586-17-7.
What is the molecular formula of KST-1A8816?
The molecular formula of KST-1A8816 is C31H48O3.
What is the molecular weight of KST-1A8816?
The molecular weight of KST-1A8816 is 468.36 g/mol.
Where can I buy KST-1A8816?
You can request a quote for KST-1A8816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A8816?
Yes, KEHONG BIO provides custom synthesis services for KST-1A8816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.