E 4080
TL;DR: E 4080 (CAS 127404-34-6) is a chemical compound with molecular formula C27H36Cl2N4O3 and molecular weight 534.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide;dihydrochloride
Also Known As: E 4080, e-40-80, E-4080, (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide;dihydrochloride, E-N-(3-((N'-(2-(3,5-Dimethoxyphenyl)ethyl)-N'-methyl)amino)propyl)-4-(4-(1H-imidazol-1-yl)phenyl)-3-butenamide dihydrochloride dihydrate
| Molecular Formula | C27H36Cl2N4O3 |
|---|---|
| Molecular Weight | 534.22 g/mol |
| LogP | 4.8172 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 534.21643 |
| Heavy Atoms | 36 |
| Complexity | 1035.1405 |
Chemical Identifiers
| CAS Number | 127404-34-6 |
|---|---|
| SMILES | CN(CCCNC(=O)C/C=C/C1=CC=C(C=C1)N2C=CN=C2)CCC3=CC(=CC(=C3)OC)OC.Cl.Cl |
Product Overview
E 4080 (CAS 127404-34-6), with molecular formula C27H36Cl2N4O3 and molecular weight 534.22 g/mol. IUPAC: (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide;dihydrochloride.
Chemical Property Profile of E 4080
Property Insights of E 4080
The XLogP value of 4.8172 indicates that E 4080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.62 Ų falls within the moderate polarity range, balancing permeability and solubility for E 4080. Following Lipinski's Rule of Five, E 4080 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E 4080?
The CAS number of E 4080 is 127404-34-6.
What is the molecular formula of E 4080?
The molecular formula of E 4080 is C27H36Cl2N4O3.
What is the molecular weight of E 4080?
The molecular weight of E 4080 is 534.22 g/mol.
Where can I buy E 4080?
You can request a quote for E 4080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 4080?
Yes, KEHONG BIO provides custom synthesis services for E 4080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.