![methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate structure](/static/products/5903/590352-77-5.webp)
methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
TL;DR: methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate (CAS 590352-77-5) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate, methyl 2-(3-(3-(1H-imidazol-1-yl)propyl)thioureido)-5-phenylthiophene-3-carboxylate, methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate, Methyl 2-(3-imidazol-1-ylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylate, methyl 2-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.7749 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 891.84265 |
Chemical Identifiers
| CAS Number | 590352-77-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCN3C=CN=C3 |
Product Overview
methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate (CAS 590352-77-5), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
Property Insights of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
The XLogP value of 3.7749 indicates that methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate has 2 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 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The CAS number of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is 590352-77-5.
What is the molecular formula of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The molecular formula of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is C19H20N4O2S2.
What is the molecular weight of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The molecular weight of methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is 400.10 g/mol.
Where can I buy methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
You can request a quote for methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-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-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(3-imidazolylpropyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.