KST-1A3168
TL;DR: KST-1A3168 (CAS 25384-54-7) is a chemical compound with molecular formula C30H41Cl2NO4 and molecular weight 549.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
Also Known As: KST-1A3168, (+-)-2,3-Dehydroemetine dihydrochloride, (+-)-2,3-Didehydroemetine dihydrochloride, (+-)-Dehydro-2,3-emetine dichlorhydrate [French], Emetine, 2,3-didehydro-, dihydrochloride, (+-)-
| Molecular Formula | C30H41Cl2NO4 |
|---|---|
| Molecular Weight | 549.24 g/mol |
| LogP | 6.9881 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.2413 |
| Heavy Atoms | 37 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 25384-54-7 |
|---|---|
| SMILES | CCC1=C(C[C@@H]2C(C1)CCC3=CC(=C(C=C23)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl.Cl |
| InChIKey | AGQORLJBIYBLOK-XJELXCTNSA-N |
Product Overview
KST-1A3168 (CAS 25384-54-7), with molecular formula C30H41Cl2NO4 and molecular weight 549.24 g/mol. IUPAC: (1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;dihydrochloride.
Chemical Property Profile of KST-1A3168
Property Insights of KST-1A3168
The XLogP value of 6.9881 indicates that KST-1A3168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, KST-1A3168 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A3168 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3168?
The CAS number of KST-1A3168 is 25384-54-7.
What is the molecular formula of KST-1A3168?
The molecular formula of KST-1A3168 is C30H41Cl2NO4.
What is the molecular weight of KST-1A3168?
The molecular weight of KST-1A3168 is 549.24 g/mol.
Where can I buy KST-1A3168?
You can request a quote for KST-1A3168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3168?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.