methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate (CAS 701953-65-3) is a chemical compound with molecular formula C18H21N5O5S2 and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitro-2-pyridinyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-{[(5-nitropyridin-2-yl)carbamothioyl]amino}thiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-({[(5-nitro(2-pyridyl))amino]thioxo methyl}amino)thiophene-3-carboxylate
| Molecular Formula | C18H21N5O5S2 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 3.43722 |
| Topological Polar Surface Area | 126.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.09842 |
| Heavy Atoms | 30 |
| Complexity | 970.09186 |
Chemical Identifiers
| CAS Number | 701953-65-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate (CAS 701953-65-3), with molecular formula C18H21N5O5S2 and molecular weight 451.10 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitro-2-pyridinyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate
The XLogP value of 3.43722 indicates that methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate 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 methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate is 701953-65-3.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate is C18H21N5O5S2.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate is 451.10 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)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 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(5-nitropyridin-2-yl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.