去氫吐根素
TL;DR: 去氫吐根素 (CAS 4914-30-1) 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.
去氫吐根素
2-[(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: Dehydroemetine, Dehidroemetina, Dehydroemetinum, Dihydroemetine, Mebadin
| Molecular Formula | C29H38N2O4 |
|---|---|
| Molecular Weight | 478.28 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.28317 |
| Heavy Atoms | 35 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 4914-30-1 |
|---|---|
| SMILES | CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC |
| InChIKey | XXLZPUYGHQWHRN-UHFFFAOYSA-N |
Product Overview
去氫吐根素 (CAS 4914-30-1), with molecular formula C29H38N2O4 and molecular weight 478.28 g/mol. IUPAC: 2-[(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 去氫吐根素
Property Insights of 去氫吐根素
The XLogP value of 3.7 indicates that 去氫吐根素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, 去氫吐根素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去氫吐根素 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 去氫吐根素?
The CAS number of 去氫吐根素 is 4914-30-1.
What is the molecular formula of 去氫吐根素?
The molecular formula of 去氫吐根素 is C29H38N2O4.
What is the molecular weight of 去氫吐根素?
The molecular weight of 去氫吐根素 is 478.28 g/mol.
Where can I buy 去氫吐根素?
You can request a quote for 去氫吐根素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氫吐根素?
Yes, KEHONG BIO provides custom synthesis services for 去氫吐根素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.