diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate
TL;DR: diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate (CAS 369403-43-0) is a chemical compound with molecular formula C20H23N3O5S2 and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 3-methyl-5-(pyridine-3-carbonylcarbamothioylamino)thiophene-2,4-dicarboxylate
Also Known As: diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate, dipropan-2-yl 3-methyl-5-(pyridine-3-carbonylcarbamothioylamino)thiophene-2,4-dicarboxylate, Dipropan-2-yl 3-methyl-5-(pyridine-3-carbonylthiocarbamoylamino)thiophene-2,4-dicarboxylate, dipropan-2-yl 3-methyl-5-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
| Molecular Formula | C20H23N3O5S2 |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 3.70872 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1079 |
| Heavy Atoms | 30 |
| Complexity | 954.85156 |
Chemical Identifiers
| CAS Number | 369403-43-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=S)NC(=O)C2=CN=CC=C2)C(=O)OC(C)C |
Product Overview
diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate (CAS 369403-43-0), with molecular formula C20H23N3O5S2 and molecular weight 449.11 g/mol. IUPAC: dipropan-2-yl 3-methyl-5-(pyridine-3-carbonylcarbamothioylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate
Property Insights of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate
The XLogP value of 3.70872 indicates that diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate has 2 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 diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate?
The CAS number of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate is 369403-43-0.
What is the molecular formula of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate?
The molecular formula of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate is C20H23N3O5S2.
What is the molecular weight of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate?
The molecular weight of diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate is 449.11 g/mol.
Where can I buy diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate?
You can request a quote for diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 3-methyl-5-(3-nicotinoylthioureido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.