吐根檢
TL;DR: 吐根檢 (CAS 483-18-1) is a chemical compound with molecular formula C29H40N2O4 and molecular weight 480.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吐根檢
(2S,3R,11bS)-2-[[(1R)-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, Cephaeline methyl ether, Methyl cephaeline, (-)-Emetine
| Molecular Formula | C29H40N2O4 |
|---|---|
| Molecular Weight | 480.30 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.2988 |
| Heavy Atoms | 35 |
| Complexity | 679.0 |
| Melting Point | 74 °C |
| Solubility | MODERATELY SOL IN DILUTE AMMONIUM HYDROXIDE; SOL IN ETHER, ALCOHOL, ACETONE; SLIGHTLY SOL IN CHLOROFORM, BENZENE; INSOL IN GLACIAL ACETIC ACID; SOL IN 80% ACETIC ACID |
Chemical Identifiers
| CAS Number | 483-18-1 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC |
| InChIKey | AUVVAXYIELKVAI-CKBKHPSWSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吐根檢 (CAS 483-18-1), with molecular formula C29H40N2O4 and molecular weight 480.30 g/mol. IUPAC: (2S,3R,11bS)-2-[[(1R)-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.
Chemical Property Profile of 吐根檢
Property Insights of 吐根檢
The XLogP value of 4.7 indicates that 吐根檢 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, 吐根檢 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吐根檢 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
Frequently Asked Questions
What is the CAS number of 吐根檢?
The CAS number of 吐根檢 is 483-18-1.
What is the molecular formula of 吐根檢?
The molecular formula of 吐根檢 is C29H40N2O4.
What is the molecular weight of 吐根檢?
The molecular weight of 吐根檢 is 480.30 g/mol.
Where can I buy 吐根檢?
You can request a quote for 吐根檢 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吐根檢?
Yes, KEHONG BIO provides custom synthesis services for 吐根檢 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.