KST-1B3090
TL;DR: KST-1B3090 (CAS 32550-44-0) is a chemical compound with molecular formula C36H56Cl2N2O5S and molecular weight 698.33 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-butan-2-ylsulfanylpropan-2-ol;dihydrochloride
Also Known As: KST-1B3090, Emetine, 2'-(3-(sec-butylthio)-2-hydroxypropyl)-, dihydrochloride, 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-(1-methylpropylthio)propyl)-1-isoquinolyl)methyl)-, dihydrochloride, trihydrate, 2-Propanol, 1-((1-methylpropyl)thio)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl, 1-(butan-2-ylsulfanyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol dihydrochloride
| Molecular Formula | C36H56Cl2N2O5S |
|---|---|
| Molecular Weight | 698.33 g/mol |
| LogP | 7.392 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 698.3287 |
| Heavy Atoms | 46 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 32550-44-0 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CSC(C)CC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | NCTCEOOVAPFZNB-IKLKEEFHSA-N |
Product Overview
KST-1B3090 (CAS 32550-44-0), with molecular formula C36H56Cl2N2O5S and molecular weight 698.33 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-butan-2-ylsulfanylpropan-2-ol;dihydrochloride.
Chemical Property Profile of KST-1B3090
Property Insights of KST-1B3090
The XLogP value of 7.392 indicates that KST-1B3090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3090. Following Lipinski's Rule of Five, KST-1B3090 has 3 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-1B3090?
The CAS number of KST-1B3090 is 32550-44-0.
What is the molecular formula of KST-1B3090?
The molecular formula of KST-1B3090 is C36H56Cl2N2O5S.
What is the molecular weight of KST-1B3090?
The molecular weight of KST-1B3090 is 698.33 g/mol.
Where can I buy KST-1B3090?
You can request a quote for KST-1B3090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3090?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.