methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate (CAS 588711-16-4) is a chemical compound with molecular formula C17H20N2O2S2 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-{[(3,4-dimethylphenyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate, methyl 2-({[(3,4-dimethylphenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophen e-3-carboxylate
| Molecular Formula | C17H20N2O2S2 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 4.57728 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.09662 |
| Heavy Atoms | 23 |
| Complexity | 766.19415 |
Chemical Identifiers
| CAS Number | 588711-16-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC)C |
Product Overview
methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate (CAS 588711-16-4), with molecular formula C17H20N2O2S2 and molecular weight 348.10 g/mol. IUPAC: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.57728 indicates that methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 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-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is 588711-16-4.
What is the molecular formula of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is C17H20N2O2S2.
What is the molecular weight of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is 348.10 g/mol.
Where can I buy methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-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-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.