methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate (CAS 588710-99-0) is a chemical compound with molecular formula C19H24N2O2S2 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-({[(4-butylphenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3-c arboxylate, methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate, Methyl 2-[(4-butylphenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate, methyl 2-{[(4-butylphenyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C19H24N2O2S2 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 5.30304 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.12793 |
| Heavy Atoms | 25 |
| Complexity | 751.5297 |
Chemical Identifiers
| CAS Number | 588710-99-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC |
Product Overview
methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate (CAS 588710-99-0), with molecular formula C19H24N2O2S2 and molecular weight 376.13 g/mol. IUPAC: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 5.30304 indicates that methyl 2-(3-(4-butylphenyl)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-(4-butylphenyl)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-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is 588710-99-0.
What is the molecular formula of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is C19H24N2O2S2.
What is the molecular weight of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate is 376.13 g/mol.
Where can I buy methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(4-butylphenyl)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-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-butylphenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.