1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)
TL;DR: 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) (CAS 61822-45-5) is a chemical compound with molecular formula C24H42N2O4 and molecular weight 422.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioate;bis(4-propylhept-1-yn-4-ylazanium)
Also Known As: LCG 21614, 4-Propyl-1-heptyn-4-amine (E)-2-butenedioate (2:1), 1-HEPTYN-4-AMINE, 4-PROPYL-, (E)-2-BUTENEDIOATE (2:1), (Z)-but-2-enedioate; 4-propylhept-1-yn-4-ylazanium
| Molecular Formula | C24H42N2O4 |
|---|---|
| Molecular Weight | 422.31 g/mol |
| LogP | 0.2236 |
| Topological Polar Surface Area | 135.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 422.31445 |
| Heavy Atoms | 30 |
| Complexity | 508.73544 |
Chemical Identifiers
| CAS Number | 61822-45-5 |
|---|---|
| SMILES | CCCC(CCC)(CC#C)[NH3+].CCCC(CCC)(CC#C)[NH3+].C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) (CAS 61822-45-5), with molecular formula C24H42N2O4 and molecular weight 422.31 g/mol. IUPAC: (Z)-but-2-enedioate;bis(4-propylhept-1-yn-4-ylazanium).
Chemical Property Profile of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)
Property Insights of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)
The XLogP value of 0.2236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1). The TPSA of 135.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1). Following Lipinski's Rule of Five, 1-Heptyn-4-amine, 4-propyl-, (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 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)?
The CAS number of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) is 61822-45-5.
What is the molecular formula of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)?
The molecular formula of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) is C24H42N2O4.
What is the molecular weight of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)?
The molecular weight of 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) is 422.31 g/mol.
Where can I buy 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)?
You can request a quote for 1-Heptyn-4-amine, 4-propyl-, (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 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptyn-4-amine, 4-propyl-, (E)-2-butenedioate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.