![methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/7082/708236-83-3.webp)
methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708236-83-3) is a chemical compound with molecular formula C25H35N3O3S2 and molecular weight 489.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-(3-(1-(4-(tert-butyl)phenyl)ethyl)thioureido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-{[({[4-(tert-butyl)phenyl]ethyl}amino)thioxo methyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H35N3O3S2 |
|---|---|
| Molecular Weight | 489.21 g/mol |
| LogP | 5.67022 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.21198 |
| Heavy Atoms | 33 |
| Complexity | 1003.13983 |
Chemical Identifiers
| CAS Number | 708236-83-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC)C |
Product Overview
methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708236-83-3), with molecular formula C25H35N3O3S2 and molecular weight 489.21 g/mol. IUPAC: methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 5.67022 indicates that methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 708236-83-3.
What is the molecular formula of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C25H35N3O3S2.
What is the molecular weight of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 489.21 g/mol.
Where can I buy methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-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-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[1-(4-tert-butylphenyl)ethyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.