Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate
TL;DR: Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate (CAS 876889-47-3) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate
Also Known As: BAS 11194211, methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate, AP-970/43268262, BRD-K82859381-001-07-9, methyl 4-(4-methylpiperazin-1-yl)-3-[(thiophen-2-ylcarbonyl)amino]benzoate
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.5388 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 752.9317 |
Chemical Identifiers
| CAS Number | 876889-47-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3 |
Product Overview
Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate (CAS 876889-47-3), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate.
Chemical Property Profile of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate
Property Insights of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate
The XLogP value of 2.5388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate. Following Lipinski's Rule of Five, Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)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 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate?
The CAS number of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate is 876889-47-3.
What is the molecular formula of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate?
The molecular formula of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate is C18H21N3O3S.
What is the molecular weight of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate?
The molecular weight of Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate is 359.13 g/mol.
Where can I buy Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate?
You can request a quote for Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.