(E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate
TL;DR: (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate (CAS 53700-44-0) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxopiperazin-2-ylidene)acetate
Also Known As: Maybridge3_004891, methyl 2-(3-oxopiperazin-2-ylidene)acetate, (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate, methyl (3-oxo-2-piperazinylidene)acetate, methyl (3-oxopiperazin-2-ylidene)acetate
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | -1.2373 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 234.80598 |
Chemical Identifiers
| CAS Number | 53700-44-0 |
|---|---|
| SMILES | COC(=O)C=C1C(=O)NCCN1 |
Product Overview
(E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate (CAS 53700-44-0), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: methyl 2-(3-oxopiperazin-2-ylidene)acetate.
Chemical Property Profile of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate
Property Insights of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate
The XLogP value of -1.2373 indicates that (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate. Following Lipinski's Rule of Five, (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate 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)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate?
The CAS number of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate is 53700-44-0.
What is the molecular formula of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate?
The molecular formula of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate is C7H10N2O3.
What is the molecular weight of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate?
The molecular weight of (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate is 170.07 g/mol.
Where can I buy (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate?
You can request a quote for (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Methyl 2-(3-oxopiperazin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.