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Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate
TL;DR: Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate (CAS 303151-73-7) is a chemical compound with molecular formula C17H21Cl2N3O3 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-3-(dimethylamino)prop-2-enoate
Also Known As: methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate, methyl (E)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-3-(dimethylamino)prop-2-enoate, methyl (2E)-2-[(E)-4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-3-(dimethylamino)prop-2-enoate, Methyl 2-{4-(3,4-dichlorophenyl)piperazinocarbonyl}-3-(dimethylamino)acrylate
| Molecular Formula | C17H21Cl2N3O3 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 2.2605 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.096 |
| Heavy Atoms | 25 |
| Complexity | 683.7157 |
Chemical Identifiers
| CAS Number | 303151-73-7 |
|---|---|
| SMILES | CN(C)/C=C(\C(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl)/C(=O)OC |
Product Overview
Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate (CAS 303151-73-7), with molecular formula C17H21Cl2N3O3 and molecular weight 385.10 g/mol. IUPAC: methyl (E)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate
Property Insights of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate
The XLogP value of 2.2605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate. With a topological polar surface area (TPSA) of 53.09 Ų, Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate?
The CAS number of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate is 303151-73-7.
What is the molecular formula of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate?
The molecular formula of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate is C17H21Cl2N3O3.
What is the molecular weight of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate?
The molecular weight of Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate is 385.10 g/mol.
Where can I buy Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate?
You can request a quote for Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(3,4-dichlorophenyl)piperazino]carbonyl}-3-(dimethylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.