4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)
TL;DR: 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) (CAS 56065-58-8) is a chemical compound with molecular formula C14H27NO4 and molecular weight 273.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4,6-dimethyloctan-4-amine
Also Known As: LCG 21595, 4,6-Dimethyl-4-octanamine (E)-2-butenedioate (1:1), 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4,6-dimethyloctan-4-amine
| Molecular Formula | C14H27NO4 |
|---|---|
| Molecular Weight | 273.19 g/mol |
| LogP | 2.6519 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.194 |
| Heavy Atoms | 19 |
| Complexity | 281.82108 |
Chemical Identifiers
| CAS Number | 56065-58-8 |
|---|---|
| SMILES | CCCC(C)(CC(C)CC)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) (CAS 56065-58-8), with molecular formula C14H27NO4 and molecular weight 273.19 g/mol. IUPAC: (E)-but-2-enedioic acid;4,6-dimethyloctan-4-amine.
Chemical Property Profile of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)
Property Insights of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)
The XLogP value of 2.6519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1). The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 3 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, 4,6-dimethyl-, (E)-2-butenedioate (1:1)?
The CAS number of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) is 56065-58-8.
What is the molecular formula of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)?
The molecular formula of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) is C14H27NO4.
What is the molecular weight of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)?
The molecular weight of 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) is 273.19 g/mol.
Where can I buy 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)?
You can request a quote for 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Octanamine, 4,6-dimethyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.