Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-
TL;DR: Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- (CAS 53700-43-9) 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 (2Z)-2-(3-oxopiperazin-2-ylidene)acetate
Also Known As: Maybridge3_004891, methyl 2-[(2Z)-3-oxopiperazin-2-ylidene]acetate, methyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate, methyl (2Z)-2-(3-oxopiperazin-2-ylidene)acetate, methyl (2E)-(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 | 53700-43-9 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)NCCN1 |
Product Overview
Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- (CAS 53700-43-9), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: methyl (2Z)-2-(3-oxopiperazin-2-ylidene)acetate.
Chemical Property Profile of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-
Property Insights of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-
The XLogP value of -1.2373 indicates that Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- 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 Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-. Following Lipinski's Rule of Five, Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- 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 Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-?
The CAS number of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- is 53700-43-9.
What is the molecular formula of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-?
The molecular formula of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- is C7H10N2O3.
What is the molecular weight of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-?
The molecular weight of Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- is 170.07 g/mol.
Where can I buy Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-?
You can request a quote for Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3-oxopiperazinylidene)-, methyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.