![methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate structure](/static/products/5886/588693-06-5.webp)
methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate
TL;DR: methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate (CAS 588693-06-5) is a chemical compound with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate, methyl 2-({[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5-methyl-4-phenylthiophene-3-carboxylate, methyl 2-(2-(furan-2-carbonyl)hydrazinecarbothioamido)-5-methyl-4-phenylthiophene-3-carboxylate, methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate, Methyl 2-[(furan-2-carbonylamino)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate
| Molecular Formula | C19H17N3O4S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 3.73452 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06604 |
| Heavy Atoms | 28 |
| Complexity | 997.87256 |
Chemical Identifiers
| CAS Number | 588693-06-5 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC=CO2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate (CAS 588693-06-5), with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol. IUPAC: methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate
Property Insights of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate
The XLogP value of 3.73452 indicates that methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 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-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate is 588693-06-5.
What is the molecular formula of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate is C19H17N3O4S2.
What is the molecular weight of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate is 415.07 g/mol.
Where can I buy methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-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-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-5-methyl-4-phenylt hiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.