Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
TL;DR: Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (CAS 545372-89-2) is a chemical compound with molecular formula C18H13BrN2O3S and molecular weight 415.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
Also Known As: methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate, methyl 4-(4-bromophenyl)-2-(3-pyridylcarbonylamino)thiophene-3-carboxylate, METHYL 4-(4-BROMOPHENYL)-2-(PYRIDINE-3-AMIDO)THIOPHENE-3-CARBOXYLATE, methyl 4-(4-bromophenyl)-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate, methyl 4-(4-bromophenyl)-2-[(3-pyridylcarbonyl)amino]-3-thiophenecarboxylate
| Molecular Formula | C18H13BrN2O3S |
|---|---|
| Molecular Weight | 415.98 g/mol |
| LogP | 4.6115 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.98303 |
| Heavy Atoms | 25 |
| Complexity | 907.83044 |
Chemical Identifiers
| CAS Number | 545372-89-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CN=CC=C3 |
Product Overview
Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (CAS 545372-89-2), with molecular formula C18H13BrN2O3S and molecular weight 415.98 g/mol. IUPAC: methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
Property Insights of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
The XLogP value of 4.6115 indicates that Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate 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 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The CAS number of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is 545372-89-2.
What is the molecular formula of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The molecular formula of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is C18H13BrN2O3S.
What is the molecular weight of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The molecular weight of Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is 415.98 g/mol.
Where can I buy Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
You can request a quote for Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)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-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-bromophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.