1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
TL;DR: 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) (CAS 53207-30-0) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
Also Known As: Dimethylaminoisobutyrophenone maleate, 3-(Dimethylamino)-2-methylpropiophenone maleate, Propiophenone, 3-(dimethylamino)-2-methyl-, maleate, (Z)-but-2-enedioic acid; 3-(dimethylamino)-2-methyl-1-phenylpropan-1-one, 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 1.7788 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 506.59753 |
Chemical Identifiers
| CAS Number | 53207-30-0 |
|---|---|
| SMILES | CC(CN(C)C)C(=O)C1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O |
Product Overview
1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) (CAS 53207-30-0), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: (Z)-but-2-enedioic acid;3-(dimethylamino)-2-methyl-1-phenylpropan-1-one.
Chemical Property Profile of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
Property Insights of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
The XLogP value of 1.7788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1). The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) 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-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)?
The CAS number of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) is 53207-30-0.
What is the molecular formula of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)?
The molecular formula of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) is C16H21NO5.
What is the molecular weight of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)?
The molecular weight of 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) is 307.14 g/mol.
Where can I buy 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)?
You can request a quote for 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-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-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.