![methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5887/588714-70-9.webp)
methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588714-70-9) is a chemical compound with molecular formula C24H27FN4O2S2 and molecular weight 486.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-(1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[({1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}amino)thioxom ethyl]amino}-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H27FN4O2S2 |
|---|---|
| Molecular Weight | 486.16 g/mol |
| LogP | 5.46914 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.15594 |
| Heavy Atoms | 33 |
| Complexity | 1200.2627 |
Chemical Identifiers
| CAS Number | 588714-70-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)F)C |
Product Overview
methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588714-70-9), with molecular formula C24H27FN4O2S2 and molecular weight 486.16 g/mol. IUPAC: methyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.46914 indicates that methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 588714-70-9.
What is the molecular formula of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C24H27FN4O2S2.
What is the molecular weight of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 486.16 g/mol.
Where can I buy methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.