Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate
TL;DR: Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate (CAS 876889-17-7) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(butanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: BAS 11194182, methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate, AP-970/43268234, methyl 3-(butanoylamino)-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-(butanoylamino)-4-(4-methylpiperazinyl)benzoate
| Molecular Formula | C17H25N3O3 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 1.9636 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1896 |
| Heavy Atoms | 23 |
| Complexity | 566.2021 |
Chemical Identifiers
| CAS Number | 876889-17-7 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C |
Product Overview
Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate (CAS 876889-17-7), with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol. IUPAC: methyl 3-(butanoylamino)-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate
Property Insights of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate
The XLogP value of 1.9636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate has 1 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-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate?
The CAS number of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate is 876889-17-7.
What is the molecular formula of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate?
The molecular formula of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate is C17H25N3O3.
What is the molecular weight of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate?
The molecular weight of Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate is 319.19 g/mol.
Where can I buy Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate?
You can request a quote for Methyl 3-(butyrylamino)-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-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(butyrylamino)-4-(4-methyl-1-piperazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.