![Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate structure](/static/products/876/876889-87-1.png)
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
TL;DR: Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate (CAS 876889-87-1) is a chemical compound with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: BAS 11194243, AP-970/43268289, methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate, methyl 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-[2-(3-methylphenoxy)acetylamino]-4-(4-methylpiperazinyl)benzoate
| Molecular Formula | C22H27N3O4 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 2.55092 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.20016 |
| Heavy Atoms | 29 |
| Complexity | 876.11115 |
Chemical Identifiers
| CAS Number | 876889-87-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C |
Product Overview
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate (CAS 876889-87-1), with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol. IUPAC: methyl 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
Property Insights of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
The XLogP value of 2.55092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate has 1 hydrogen bond donor(s) and 6 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-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The CAS number of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is 876889-87-1.
What is the molecular formula of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The molecular formula of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is C22H27N3O4.
What is the molecular weight of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The molecular weight of Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is 397.20 g/mol.
Where can I buy Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
You can request a quote for Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)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-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(3-methylphenoxy)acetyl]amino}-4-(4-methyl-1-piperazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.