methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701946-11-4) is a chemical compound with molecular formula C17H18F2N4O2S3 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2,4-difluorophenyl)carbamothioylamino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[({2-[(2,4-difluorophenyl)carbamothioyl]hydrazinyl}carbonothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[[(2,4-difluorophenyl)carbamothioylamino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-{[(2-{[(2,4-difluorophenyl)amino]thioxomethyl}hydrazino)thioxomethyl] amino}-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C17H18F2N4O2S3 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 3.87172 |
| Topological Polar Surface Area | 74.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.056 |
| Heavy Atoms | 28 |
| Complexity | 918.0477 |
Chemical Identifiers
| CAS Number | 701946-11-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F)C |
Product Overview
methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701946-11-4), with molecular formula C17H18F2N4O2S3 and molecular weight 444.06 g/mol. IUPAC: methyl 2-[[(2,4-difluorophenyl)carbamothioylamino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 3.87172 indicates that methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate has 4 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 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is 701946-11-4.
What is the molecular formula of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is C17H18F2N4O2S3.
What is the molecular weight of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is 444.06 g/mol.
Where can I buy methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-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-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((2,4-difluorophenyl)carbamothioyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.