![Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate structure](/static/products/852/852706-70-8.png)
Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
TL;DR: Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate (CAS 852706-70-8) is a chemical compound with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazinyl)acetylamino]thiophene-3- carboxylate, methyl 4,5-dimethyl-2-({[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(2-(4-(pyrimidin-2-yl)piperazin-1-yl)acetamido)thiophene-3-carboxylate
| Molecular Formula | C18H23N5O3S |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 1.70224 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.15216 |
| Heavy Atoms | 27 |
| Complexity | 815.9046 |
Chemical Identifiers
| CAS Number | 852706-70-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C |
Product Overview
Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate (CAS 852706-70-8), with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
Property Insights of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
The XLogP value of 1.70224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The CAS number of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate is 852706-70-8.
What is the molecular formula of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate is C18H23N5O3S.
What is the molecular weight of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate is 389.15 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.