methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701944-83-4) is a chemical compound with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxometh yl)amino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate, Methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-{[(2-{[4-(1H-pyrrol-1-yl)phenyl]carbonyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H22N4O3S2 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 3.82762 |
| Topological Polar Surface Area | 84.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.11334 |
| Heavy Atoms | 30 |
| Complexity | 1056.8694 |
Chemical Identifiers
| CAS Number | 701944-83-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)C |
Product Overview
methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701944-83-4), with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 3.82762 indicates that methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate has 3 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-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is 701944-83-4.
What is the molecular formula of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is C21H22N4O3S2.
What is the molecular weight of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate is 442.11 g/mol.
Where can I buy methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)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-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.