![Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate structure](/static/products/1042/1042693-31-1.webp)
Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate (CAS 1042693-31-1) is a chemical compound with molecular formula C23H23N3O7 and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(1-benzoyl-3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[3-oxo-1-(phenylcarbonyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-(2-(1-benzoyl-3-oxopiperazin-2-yl)acetamido)isophthalate, dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate, dimethyl 5-[[2-(1-benzoyl-3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-[2-(1-BENZOYL-3-OXOPIPERAZIN-2-YL)ACETAMIDO]BENZENE-1,3-DICARBOXYLATE
| Molecular Formula | C23H23N3O7 |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 1.2292 |
| Topological Polar Surface Area | 131.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1536 |
| Heavy Atoms | 33 |
| Complexity | 1050.4675 |
Chemical Identifiers
| CAS Number | 1042693-31-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3)C(=O)OC |
Product Overview
Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate (CAS 1042693-31-1), with molecular formula C23H23N3O7 and molecular weight 453.15 g/mol. IUPAC: dimethyl 5-[[2-(1-benzoyl-3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate
The XLogP value of 1.2292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate. The TPSA of 131.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate has 2 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 Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate is 1042693-31-1.
What is the molecular formula of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate is C23H23N3O7.
What is the molecular weight of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate is 453.15 g/mol.
Where can I buy Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(1-benzoyl-3-oxo-2-piperazinyl)acetyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.