1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
TL;DR: 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) (CAS 64467-59-0) is a chemical compound with molecular formula C15H27NO4 and molecular weight 285.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;methyl(4-propylhept-1-en-4-yl)azanium
Also Known As: LCG 21667, N-Methyl-4-propyl-1-hepten-4-amine (E)-2-butenedioate, 1-HEPTEN-4-AMINE, N-METHYL-4-PROPYL-, (E)-2-BUTENEDIOATE (1:1), (Z)-4-hydroxy-4-oxobut-2-enoate; methyl(4-propylhept-1-en-4-yl)azanium
| Molecular Formula | C15H27NO4 |
|---|---|
| Molecular Weight | 285.19 g/mol |
| LogP | 0.4718 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 285.194 |
| Heavy Atoms | 20 |
| Complexity | 301.8352 |
Chemical Identifiers
| CAS Number | 64467-59-0 |
|---|---|
| SMILES | CCCC(CCC)(CC=C)[NH2+]C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) (CAS 64467-59-0), with molecular formula C15H27NO4 and molecular weight 285.19 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;methyl(4-propylhept-1-en-4-yl)azanium.
Chemical Property Profile of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
Property Insights of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
The XLogP value of 0.4718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1). The TPSA of 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) has 2 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 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)?
The CAS number of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) is 64467-59-0.
What is the molecular formula of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)?
The molecular formula of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) is C15H27NO4.
What is the molecular weight of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)?
The molecular weight of 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) is 285.19 g/mol.
Where can I buy 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)?
You can request a quote for 1-Hepten-4-amine, N-methyl-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 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.