4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
TL;DR: 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) (CAS 56065-60-2) is a chemical compound with molecular formula C16H31NO4 and molecular weight 301.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2,6-dimethyl-4-propylheptan-4-amine
Also Known As: LCG 21600, 2,6-Dimethyl-4-propyl-4-heptanamine (E)-2-butenedioate (1:1), 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2,6-dimethyl-4-propylheptan-4-amine
| Molecular Formula | C16H31NO4 |
|---|---|
| Molecular Weight | 301.23 g/mol |
| LogP | 3.288 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.2253 |
| Heavy Atoms | 21 |
| Complexity | 309.16867 |
Chemical Identifiers
| CAS Number | 56065-60-2 |
|---|---|
| SMILES | CCCC(CC(C)C)(CC(C)C)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) (CAS 56065-60-2), with molecular formula C16H31NO4 and molecular weight 301.23 g/mol. IUPAC: (E)-but-2-enedioic acid;2,6-dimethyl-4-propylheptan-4-amine.
Chemical Property Profile of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
Property Insights of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
The XLogP value of 3.288 indicates that 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 4-Heptanamine, 2,6-dimethyl-4-propyl-, (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-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)?
The CAS number of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) is 56065-60-2.
What is the molecular formula of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)?
The molecular formula of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) is C16H31NO4.
What is the molecular weight of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)?
The molecular weight of 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) is 301.23 g/mol.
Where can I buy 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)?
You can request a quote for 4-Heptanamine, 2,6-dimethyl-4-propyl-, (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-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.