![Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate structure](/static/products/5887/588713-29-5.webp)
Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate
TL;DR: Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate (CAS 588713-29-5) is a chemical compound with molecular formula C21H26N4O2S2 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate
Also Known As: Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate, methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate, Methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylate, methyl 2-({[(1-adamantanylpyrazol-3-yl)amino]thioxomethyl}amino)-5-methylthiop hene-3-carboxylate, methyl 2-[({[1-(1-adamantyl)-1H-pyrazol-3-yl]amino}carbonothioyl)amino]-5-methyl-3-thiophenecarboxylate
| Molecular Formula | C21H26N4O2S2 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 4.77382 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.14972 |
| Heavy Atoms | 29 |
| Complexity | 928.50824 |
Chemical Identifiers
| CAS Number | 588713-29-5 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC |
Product Overview
Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate (CAS 588713-29-5), with molecular formula C21H26N4O2S2 and molecular weight 430.15 g/mol. IUPAC: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate
Property Insights of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate
The XLogP value of 4.77382 indicates that Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate 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 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate?
The CAS number of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate is 588713-29-5.
What is the molecular formula of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate?
The molecular formula of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate is C21H26N4O2S2.
What is the molecular weight of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate?
The molecular weight of Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate is 430.15 g/mol.
Where can I buy Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate?
You can request a quote for Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-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 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-2-[[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)amino]methyl]amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.