Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate
TL;DR: Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate (CAS 369403-51-0) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylphenyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: BAS 03154838, methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate, methyl 4-(4-methylphenyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate, methyl 4-(4-methylphenyl)-2-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.03192 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 1014.935 |
Chemical Identifiers
| CAS Number | 369403-51-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=NC=C3 |
Product Overview
Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate (CAS 369403-51-0), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: methyl 4-(4-methylphenyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate
Property Insights of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate
The XLogP value of 4.03192 indicates that Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate has 2 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 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate?
The CAS number of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate is 369403-51-0.
What is the molecular formula of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate?
The molecular formula of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate is C20H17N3O3S2.
What is the molecular weight of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate?
The molecular weight of Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate is 411.07 g/mol.
Where can I buy Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate?
You can request a quote for Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)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 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-isonicotinoylthioureido)-4-(p-tolyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.