Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate
TL;DR: Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate (CAS 7595-50-8) is a chemical compound with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4-dichloro-2-piperazin-1-ylbut-3-enoate
Also Known As: methyl 4,4-dichloro-2-piperazin-1-ylbut-3-enoate, Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate, METHYL 4,4-DICHLORO-2-PIPERAZIN-1-YL-BUT-3-ENOATE
| Molecular Formula | C9H14Cl2N2O2 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.04323 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 7595-50-8 |
|---|---|
| SMILES | COC(=O)C(C=C(Cl)Cl)N1CCNCC1 |
| InChIKey | MWXDNQFGGIYWOB-UHFFFAOYSA-N |
Product Overview
Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate (CAS 7595-50-8), with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol. IUPAC: methyl 4,4-dichloro-2-piperazin-1-ylbut-3-enoate.
Chemical Property Profile of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate
Property Insights of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate. With a topological polar surface area (TPSA) of 41.6 Ų, Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate has 1 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 Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate?
The CAS number of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate is 7595-50-8.
What is the molecular formula of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate?
The molecular formula of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate is C9H14Cl2N2O2.
What is the molecular weight of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate?
The molecular weight of Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate is 252.04 g/mol.
Where can I buy Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate?
You can request a quote for Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4-dichloro-2-(piperazin-1-yl)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.