![Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate structure](/static/products/865/865660-28-2.png)
Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
TL;DR: Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate (CAS 865660-28-2) is a chemical compound with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
Also Known As: 3X-0860, Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate, methyl 3-[(anilinocarbonyl)amino]-2-[(4-phenylpiperazino)methyl]benzenecarboxylate, methyl 3-[(phenylcarbamoyl)amino]-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
| Molecular Formula | C26H28N4O3 |
|---|---|
| Molecular Weight | 444.22 g/mol |
| LogP | 4.4394 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.21616 |
| Heavy Atoms | 33 |
| Complexity | 1081.2058 |
Chemical Identifiers
| CAS Number | 865660-28-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)NC(=O)NC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate (CAS 865660-28-2), with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol. IUPAC: methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate.
Chemical Property Profile of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
Property Insights of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
The XLogP value of 4.4394 indicates that Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate has 2 hydrogen bond donor(s) and 5 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-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate?
The CAS number of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate is 865660-28-2.
What is the molecular formula of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate?
The molecular formula of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate is C26H28N4O3.
What is the molecular weight of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate?
The molecular weight of Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate is 444.22 g/mol.
Where can I buy Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate?
You can request a quote for Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]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-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(phenylcarbamoylamino)-2-[(4-phenylpiperazin-1-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.