methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
TL;DR: methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate (CAS 701946-79-4) is a chemical compound with molecular formula C15H18N2O2S3 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-({[(2-thienylmethyl)amino]thioxomethyl}amino)thiophe ne-3-carboxylate, methyl 4-ethyl-5-methyl-2-{[(thiophen-2-ylmethyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C15H18N2O2S3 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 3.95362 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.05304 |
| Heavy Atoms | 22 |
| Complexity | 662.63556 |
Chemical Identifiers
| CAS Number | 701946-79-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CS2)C |
Product Overview
methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate (CAS 701946-79-4), with molecular formula C15H18N2O2S3 and molecular weight 354.05 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
Property Insights of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
The XLogP value of 3.95362 indicates that methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-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 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-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 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The CAS number of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is 701946-79-4.
What is the molecular formula of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The molecular formula of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is C15H18N2O2S3.
What is the molecular weight of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The molecular weight of methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is 354.05 g/mol.
Where can I buy methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
You can request a quote for methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-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 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-5-methyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.