![(E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one structure](/static/products/540/5407-59-0.png)
(E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one
TL;DR: (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one (CAS 5407-59-0) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one
Also Known As: 2-(Dimethylaminomethyl)valerophenone maleate, 2-[(dimethylamino)methyl]-1-phenylpentan-1-one but-2-enedioate(1:1), (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenylpentan-1-one
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.559 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 535.78735 |
Chemical Identifiers
| CAS Number | 5407-59-0 |
|---|---|
| SMILES | CCCC(CN(C)C)C(=O)C1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O |
Product Overview
(E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one (CAS 5407-59-0), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one.
Chemical Property Profile of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one
Property Insights of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one
The XLogP value of 2.559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one. Following Lipinski's Rule of Five, (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one 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 (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one?
The CAS number of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one is 5407-59-0.
What is the molecular formula of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one?
The molecular formula of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one is C18H25NO5.
What is the molecular weight of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one?
The molecular weight of (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one is 335.17 g/mol.
Where can I buy (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one?
You can request a quote for (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylpentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.