![Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate structure](/static/products/872/872349-30-9.png)
Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate
TL;DR: Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate (CAS 872349-30-9) is a chemical compound with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
Also Known As: methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate, AI-204/43293249, methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
| Molecular Formula | C18H21N5O3 |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 1.0239 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.16443 |
| Heavy Atoms | 26 |
| Complexity | 760.4317 |
Chemical Identifiers
| CAS Number | 872349-30-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=NC=CC=N3 |
Product Overview
Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate (CAS 872349-30-9), with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol. IUPAC: methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate
Property Insights of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate
The XLogP value of 1.0239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate has 1 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 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate?
The CAS number of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate is 872349-30-9.
What is the molecular formula of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate?
The molecular formula of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate is C18H21N5O3.
What is the molecular weight of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate?
The molecular weight of Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate is 355.16 g/mol.
Where can I buy Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate?
You can request a quote for Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.