Dehydroisoemetine, (+/-)-
TL;DR: Dehydroisoemetine, (+/-)- (CAS 66899-87-4) is a chemical compound with molecular formula C29H38N2O4 and molecular weight 478.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11bS)-2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
Also Known As: Dehydroisoemetine, 2-Dehydroisoemetine, (Iso)-Dehydroemetine, Dehydroisoemetine, (+/-)-, 2,3-Didehydroisoemetin
| Molecular Formula | C29H38N2O4 |
|---|---|
| Molecular Weight | 478.28 g/mol |
| LogP | 5.0076 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.28317 |
| Heavy Atoms | 35 |
| Complexity | 1126.1503 |
Chemical Identifiers
| CAS Number | 66899-87-4 |
|---|---|
| SMILES | CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@H]4C5=CC(=C(C=C5CCN4)OC)OC |
Product Overview
Dehydroisoemetine, (+/-)- (CAS 66899-87-4), with molecular formula C29H38N2O4 and molecular weight 478.28 g/mol. IUPAC: (11bS)-2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine.
Chemical Property Profile of Dehydroisoemetine, (+/-)-
Property Insights of Dehydroisoemetine, (+/-)-
The XLogP value of 5.0076 indicates that Dehydroisoemetine, (+/-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, Dehydroisoemetine, (+/-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydroisoemetine, (+/-)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydroisoemetine, (+/-)-?
The CAS number of Dehydroisoemetine, (+/-)- is 66899-87-4.
What is the molecular formula of Dehydroisoemetine, (+/-)-?
The molecular formula of Dehydroisoemetine, (+/-)- is C29H38N2O4.
What is the molecular weight of Dehydroisoemetine, (+/-)-?
The molecular weight of Dehydroisoemetine, (+/-)- is 478.28 g/mol.
Where can I buy Dehydroisoemetine, (+/-)-?
You can request a quote for Dehydroisoemetine, (+/-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroisoemetine, (+/-)-?
Yes, KEHONG BIO provides custom synthesis services for Dehydroisoemetine, (+/-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.