4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)
TL;DR: 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) (CAS 56165-53-8) is a chemical compound with molecular formula C24H50N2O4 and molecular weight 430.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioate;2,4-dimethyloctan-4-ylazanium;4,7-dimethyloctan-4-ylazanium
Also Known As: LCG 21581, 2,4-Dimethyl-4-octanamine (E)-2-butenedioate (2:1), 4-OCTANAMINE, 2,4-DIMETHYL-, (E)-2-BUTENEDIOATE (2:1), (E)-but-2-enedioate; 2,4-dimethyloctan-4-ylazanium; 4,7-dimethyloctan-4-ylazanium
| Molecular Formula | C24H50N2O4 |
|---|---|
| Molecular Weight | 430.38 g/mol |
| LogP | 1.489 |
| Topological Polar Surface Area | 135.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.37704 |
| Heavy Atoms | 30 |
| Complexity | 453.8264 |
Chemical Identifiers
| CAS Number | 56165-53-8 |
|---|---|
| SMILES | CCCCC(C)(CC(C)C)[NH3+].CCCC(C)(CCC(C)C)[NH3+].C(=C/C(=O)[O-])\C(=O)[O-] |
Product Overview
4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) (CAS 56165-53-8), with molecular formula C24H50N2O4 and molecular weight 430.38 g/mol. IUPAC: (E)-but-2-enedioate;2,4-dimethyloctan-4-ylazanium;4,7-dimethyloctan-4-ylazanium.
Chemical Property Profile of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)
Property Insights of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)
The XLogP value of 1.489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1). The TPSA of 135.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1). Following Lipinski's Rule of Five, 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) has 2 hydrogen bond donor(s) and 4 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 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)?
The CAS number of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) is 56165-53-8.
What is the molecular formula of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)?
The molecular formula of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) is C24H50N2O4.
What is the molecular weight of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)?
The molecular weight of 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) is 430.38 g/mol.
Where can I buy 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)?
You can request a quote for 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Octanamine, 2,4-dimethyl-, (E)-2-butenedioate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.