![propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4968/496834-87-8.webp)
propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 496834-87-8) is a chemical compound with molecular formula C19H23IN4O3S2 and molecular weight 546.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(4-iodo-1-methylpyrazole-5-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-[({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-[(4-iodo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-(3-(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H23IN4O3S2 |
|---|---|
| Molecular Weight | 546.03 g/mol |
| LogP | 3.9046 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.02563 |
| Heavy Atoms | 29 |
| Complexity | 934.1463 |
Chemical Identifiers
| CAS Number | 496834-87-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C=NN3C)I |
Product Overview
propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 496834-87-8), with molecular formula C19H23IN4O3S2 and molecular weight 546.03 g/mol. IUPAC: propyl 2-[(4-iodo-1-methylpyrazole-5-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.9046 indicates that propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]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 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 496834-87-8.
What is the molecular formula of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C19H23IN4O3S2.
What is the molecular weight of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 546.03 g/mol.
Where can I buy propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]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 propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]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.