KST-1B3524
TL;DR: KST-1B3524 (CAS 35727-99-2) is a chemical compound with molecular formula C39H55Cl4N3O5 and molecular weight 785.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2-chloro-6-methylanilino)propan-2-ol;trihydrochloride
Also Known As: KST-1B3524, Emetine, 2'-(3-(6-chloro-o-toluidino)-2-hydroxypropyl)-, trihydrochloride, 1-[(2-chloro-6-methylphenyl)amino]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol trihydrochloride, 1-(2-Chloro-6-methylanilino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3), 2-Propanol, 1-((2-chloro-6-methylphenyl)amino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 3HC
| Molecular Formula | C39H55Cl4N3O5 |
|---|---|
| Molecular Weight | 785.29 g/mol |
| LogP | 8.35602 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 785.2896 |
| Heavy Atoms | 51 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 35727-99-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CNC6=C(C=CC=C6Cl)C)O)OC)OC)OC)OC.Cl.Cl.Cl |
| InChIKey | LPWMLHRNEVEHOH-KXJPZNHBSA-N |
Product Overview
KST-1B3524 (CAS 35727-99-2), with molecular formula C39H55Cl4N3O5 and molecular weight 785.29 g/mol. IUPAC: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2-chloro-6-methylanilino)propan-2-ol;trihydrochloride.
Chemical Property Profile of KST-1B3524
Property Insights of KST-1B3524
The XLogP value of 8.35602 indicates that KST-1B3524 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3524. Following Lipinski's Rule of Five, KST-1B3524 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3524?
The CAS number of KST-1B3524 is 35727-99-2.
What is the molecular formula of KST-1B3524?
The molecular formula of KST-1B3524 is C39H55Cl4N3O5.
What is the molecular weight of KST-1B3524?
The molecular weight of KST-1B3524 is 785.29 g/mol.
Where can I buy KST-1B3524?
You can request a quote for KST-1B3524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3524?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.