KST-1B3113
TL;DR: KST-1B3113 (CAS 32787-54-5) is a chemical compound with molecular formula C37H52Cl2N2O6S and molecular weight 722.29 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-(furan-2-ylmethylsulfanyl)propan-2-ol;dihydrochloride
Also Known As: KST-1B3113, Emetine, 2'-(3-(furfurylthio)-2-hydroxypropyl)-, dihydrochloride, 2-Propanol, 1-((2-furanylmethyl)thio)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl, 1-[(furan-2-ylmethyl)sulfanyl]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol 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-(3-(2-furylmethylthio)-3-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol (3:6:2)
| Molecular Formula | C37H52Cl2N2O6S |
|---|---|
| Molecular Weight | 722.29 g/mol |
| LogP | 7.3867 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 722.2923 |
| Heavy Atoms | 48 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 32787-54-5 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CSCC6=CC=CO6)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | ZUTQZJCJKVNOCS-JCPWLRNHSA-N |
Product Overview
KST-1B3113 (CAS 32787-54-5), with molecular formula C37H52Cl2N2O6S and molecular weight 722.29 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-(furan-2-ylmethylsulfanyl)propan-2-ol;dihydrochloride.
Chemical Property Profile of KST-1B3113
Property Insights of KST-1B3113
The XLogP value of 7.3867 indicates that KST-1B3113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3113. Following Lipinski's Rule of Five, KST-1B3113 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3113?
The CAS number of KST-1B3113 is 32787-54-5.
What is the molecular formula of KST-1B3113?
The molecular formula of KST-1B3113 is C37H52Cl2N2O6S.
What is the molecular weight of KST-1B3113?
The molecular weight of KST-1B3113 is 722.29 g/mol.
Where can I buy KST-1B3113?
You can request a quote for KST-1B3113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3113?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.