![Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate structure](/static/products/1008/1008706-68-0.webp)
Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate
TL;DR: Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate (CAS 1008706-68-0) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate, dimethyl 5-(2-(3-oxopiperazin-2-yl)acetamido)isophthalate, dimethyl 5-{[(3-oxo-2-piperazinyl)acetyl]amino}isophthalate, dimethyl 5-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(3-oxopiperazin-2-yl)acetyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C16H19N3O6 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | -0.3236 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12738 |
| Heavy Atoms | 25 |
| Complexity | 668.86053 |
Chemical Identifiers
| CAS Number | 1008706-68-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)C(=O)OC |
Product Overview
Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate (CAS 1008706-68-0), with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol. IUPAC: dimethyl 5-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate
Property Insights of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate
The XLogP value of -0.3236 indicates that Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate. Following Lipinski's Rule of Five, Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate has 3 hydrogen bond donor(s) and 7 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 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate?
The CAS number of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate is 1008706-68-0.
What is the molecular formula of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate?
The molecular formula of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate is C16H19N3O6.
What is the molecular weight of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate?
The molecular weight of Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate is 349.13 g/mol.
Where can I buy Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate?
You can request a quote for Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methoxycarbonyl)-5-[2-(3-oxopiperazin-2-yl)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.