Isoemetine, tetradehydro-
TL;DR: Isoemetine, tetradehydro- (CAS 14198-59-5) is a chemical compound with molecular formula C29H40N2O4 and molecular weight 480.2988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: EMETINE, Emetin, Emetine hydrochloride, Purum (Salt/Mix), Amebicide (Salt/Mix)
Technical Specifications
| Molecular Formula | C29H40N2O4 |
| Molecular Weight | 480.2988 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.2988 Da |
| Heavy Atoms | 35 |
| Complexity | 679.0 |
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC |
| InChIKey | AUVVAXYIELKVAI-UHFFFAOYSA-N |
Product Description
Applications: Isoemetine, tetradehydro- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Isoemetine, tetradehydro- (CAS 14198-59-5) has the molecular formula C29H40N2O4 and a molecular weight of 480.3 g/mol. Synonyms include EMETINE and Emetin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isoemetine, tetradehydro-
Property Insights of Isoemetine, tetradehydro-
The XLogP value of 4.7 indicates that Isoemetine, tetradehydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, Isoemetine, tetradehydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoemetine, tetradehydro- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoemetine, tetradehydro-?
The CAS number of Isoemetine, tetradehydro- is 14198-59-5.
What is the molecular formula of Isoemetine, tetradehydro-?
The molecular formula of Isoemetine, tetradehydro- is C29H40N2O4.
What is the molecular weight of Isoemetine, tetradehydro-?
The molecular weight of Isoemetine, tetradehydro- is 480.2988 g/mol.
What are the applications of Isoemetine, tetradehydro-?
Isoemetine, tetradehydro- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC,...
Where can I buy Isoemetine, tetradehydro-?
You can request a quote for Isoemetine, tetradehydro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoemetine, tetradehydro-?
Yes, CoreyChem provides custom synthesis services for Isoemetine, tetradehydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.