KST-1B8816
TL;DR: KST-1B8816 (CAS 83291-49-0) is a chemical compound with molecular formula C35H57NO5S and molecular weight 603.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol;2,5-dimethylbenzenesulfonic acid
Also Known As: KST-1B8816, TX 3047, 1-[(3s,8s,9s,10r,13s,14s,17s)-3-diethylamino-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol;2,5-dimethylbenzenesulfonic acid, 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol; 2,5-dimethylbenzenesulfonic acid
| Molecular Formula | C35H57NO5S |
|---|---|
| Molecular Weight | 603.40 g/mol |
| LogP | 7.57094 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 603.39575 |
| Heavy Atoms | 42 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 83291-49-0 |
|---|---|
| SMILES | CCN(CC)[C@@]1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(C)O)C)C)OCC.CC1=CC(=C(C=C1)C)S(=O)(=O)O |
| InChIKey | SNAVGPCXLYIXFS-VYAOTLDVSA-N |
Product Overview
KST-1B8816 (CAS 83291-49-0), with molecular formula C35H57NO5S and molecular weight 603.40 g/mol. IUPAC: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol;2,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of KST-1B8816
Property Insights of KST-1B8816
The XLogP value of 7.57094 indicates that KST-1B8816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B8816. Following Lipinski's Rule of Five, KST-1B8816 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B8816?
The CAS number of KST-1B8816 is 83291-49-0.
What is the molecular formula of KST-1B8816?
The molecular formula of KST-1B8816 is C35H57NO5S.
What is the molecular weight of KST-1B8816?
The molecular weight of KST-1B8816 is 603.40 g/mol.
Where can I buy KST-1B8816?
You can request a quote for KST-1B8816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B8816?
Yes, KEHONG BIO provides custom synthesis services for KST-1B8816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.