![Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate structure](/static/products/5903/590353-55-2.webp)
Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate
TL;DR: Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate (CAS 590353-55-2) is a chemical compound with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate, methyl 2-({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate, methyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenylthiophene-3-carboxylate, methyl 2-[({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}carbonothioyl)amino]-5-phenyl-3-thiophenecarboxylate, methyl 2-[({methyl[(1,3,5-trimethylpyrazol-4-yl)methyl]amino}thioxomethyl)amin o]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 4.38084 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 1040.636 |
Chemical Identifiers
| CAS Number | 590353-55-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC |
Product Overview
Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate (CAS 590353-55-2), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: methyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate
Property Insights of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate
The XLogP value of 4.38084 indicates that Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate has 1 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-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate?
The CAS number of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate is 590353-55-2.
What is the molecular formula of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate?
The molecular formula of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate is C21H24N4O2S2.
What is the molecular weight of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate?
The molecular weight of Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate is 428.13 g/mol.
Where can I buy Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate?
You can request a quote for Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[[methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]thioxomethyl]amino]-5-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.