头九节碱
TL;DR: 头九节碱 (CAS 483-17-0) is a chemical compound with molecular formula C28H38N2O4 and molecular weight 466.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头九节碱
1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Also Known As: Cephaeline, Desmethylemetine, Cephaelin, Dihydropsychotrine, 7',10,11-Trimethoxyemetan-6'-ol
| Molecular Formula | C28H38N2O4 |
|---|---|
| Molecular Weight | 466.28 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.28317 |
| Heavy Atoms | 34 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 483-17-0 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC |
| InChIKey | DTGZHCFJNDAHEN-UHFFFAOYSA-N |
Product Overview
头九节碱 (CAS 483-17-0), with molecular formula C28H38N2O4 and molecular weight 466.28 g/mol. IUPAC: 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol.
Chemical Property Profile of 头九节碱
Property Insights of 头九节碱
The XLogP value of 4.4 indicates that 头九节碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 头九节碱. Following Lipinski's Rule of Five, 头九节碱 has 2 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 头九节碱?
The CAS number of 头九节碱 is 483-17-0.
What is the molecular formula of 头九节碱?
The molecular formula of 头九节碱 is C28H38N2O4.
What is the molecular weight of 头九节碱?
The molecular weight of 头九节碱 is 466.28 g/mol.
Where can I buy 头九节碱?
You can request a quote for 头九节碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头九节碱?
Yes, KEHONG BIO provides custom synthesis services for 头九节碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.