Isoamyl cephaeline phosphate
TL;DR: Isoamyl cephaeline phosphate (CAS 64048-68-6) is a chemical compound with molecular formula C33H51N2O8P and molecular weight 634.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-9,10-dimethoxy-2-[[7-methoxy-6-(3-methylbutoxy)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;phosphoric acid
Also Known As: Isoamyl cephaeline phosphate, 3-Aminophenyltrimethylammonium iodide, 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6-isopentoxy-7-methoxy-1-isoquinolyl)methyl)-, phosphate, 7',10,11-trimethoxy-6'-(3-methylbutoxy)emetan phosphate(1:1), Phosphoric acid--7',10,11-trimethoxy-6'-(3-methylbutoxy)emetan (1/1)
| Molecular Formula | C33H51N2O8P |
|---|---|
| Molecular Weight | 634.34 g/mol |
| LogP | 5.43 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 634.3383 |
| Heavy Atoms | 44 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 64048-68-6 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OCCC(C)C)OC)OC)OC.OP(=O)(O)O |
| InChIKey | SZKYXKPLICLRBA-UHFFFAOYSA-N |
Product Overview
Isoamyl cephaeline phosphate (CAS 64048-68-6), with molecular formula C33H51N2O8P and molecular weight 634.34 g/mol. IUPAC: 3-ethyl-9,10-dimethoxy-2-[[7-methoxy-6-(3-methylbutoxy)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;phosphoric acid.
Chemical Property Profile of Isoamyl cephaeline phosphate
Property Insights of Isoamyl cephaeline phosphate
The XLogP value of 5.43 indicates that Isoamyl cephaeline phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoamyl cephaeline phosphate. Following Lipinski's Rule of Five, Isoamyl cephaeline phosphate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoamyl cephaeline phosphate?
The CAS number of Isoamyl cephaeline phosphate is 64048-68-6.
What is the molecular formula of Isoamyl cephaeline phosphate?
The molecular formula of Isoamyl cephaeline phosphate is C33H51N2O8P.
What is the molecular weight of Isoamyl cephaeline phosphate?
The molecular weight of Isoamyl cephaeline phosphate is 634.34 g/mol.
Where can I buy Isoamyl cephaeline phosphate?
You can request a quote for Isoamyl cephaeline phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl cephaeline phosphate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl cephaeline phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.