Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 59898-41-8) is a chemical compound with molecular formula C14H22N2O2S2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-ca, Ethyl 2-(butylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylate, Ethyl 2-[(butylcarbamothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C14H22N2O2S2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.62814 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.11227 |
| Heavy Atoms | 20 |
| Complexity | 483.7636 |
Chemical Identifiers
| CAS Number | 59898-41-8 |
|---|---|
| SMILES | CCCCNC(=S)NC1=C(C(=C(S1)C)C)C(=O)OCC |
Product Overview
Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 59898-41-8), with molecular formula C14H22N2O2S2 and molecular weight 314.11 g/mol. IUPAC: ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.62814 indicates that Ethyl 2-(butylcarbamothioylamino)-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, Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(butylcarbamothioylamino)-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 Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate is 59898-41-8.
What is the molecular formula of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate is C14H22N2O2S2.
What is the molecular weight of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate is 314.11 g/mol.
Where can I buy Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(butylcarbamothioylamino)-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 Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(butylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.