Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate (CAS 876889-52-0) is a chemical compound with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: BAS 11194213, methyl 4-(4-methylpiperazin-1-yl)-3-pivalamidobenzoate, methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-[(2,2-dimethylpropanoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazinyl)benzoate
| Molecular Formula | C18H27N3O3 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.20523 |
| Heavy Atoms | 24 |
| Complexity | 614.4253 |
Chemical Identifiers
| CAS Number | 876889-52-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C |
Product Overview
Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate (CAS 876889-52-0), with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol. IUPAC: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)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-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate is 876889-52-0.
What is the molecular formula of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate is C18H27N3O3.
What is the molecular weight of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate is 333.21 g/mol.
Where can I buy Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)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-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.