2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)
TL;DR: 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) (CAS 56065-54-4) 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-ethyl-2-methylheptan-2-amine
Also Known As: LCG 21599, 4-Ethyl-2-methyl-2-heptanamine (E)-2-butenedioate (1:1), 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-ethyl-2-methylheptan-2-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 | 276.3113 |
Chemical Identifiers
| CAS Number | 56065-54-4 |
|---|---|
| SMILES | CCCC(CC)CC(C)(C)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) (CAS 56065-54-4), with molecular formula C14H27NO4 and molecular weight 273.19 g/mol. IUPAC: (E)-but-2-enedioic acid;4-ethyl-2-methylheptan-2-amine.
Chemical Property Profile of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)
Property Insights of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)
The XLogP value of 2.6519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1). The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 2-Heptanamine, 4-ethyl-2-methyl-, (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 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)?
The CAS number of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) is 56065-54-4.
What is the molecular formula of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)?
The molecular formula of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) is C14H27NO4.
What is the molecular weight of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)?
The molecular weight of 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) is 273.19 g/mol.
Where can I buy 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)?
You can request a quote for 2-Heptanamine, 4-ethyl-2-methyl-, (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 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptanamine, 4-ethyl-2-methyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.