![propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5148/514800-22-7.webp)
propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 514800-22-7) is a chemical compound with molecular formula C24H26BrN3O3S and molecular weight 515.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-(3-((4-bromo-1H-pyrazol-1-yl)methyl)benzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propyl 2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C24H26BrN3O3S |
|---|---|
| Molecular Weight | 515.09 g/mol |
| LogP | 5.6993 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0878 |
| Heavy Atoms | 32 |
| Complexity | 1137.4655 |
Chemical Identifiers
| CAS Number | 514800-22-7 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC(=C3)CN4C=C(C=N4)Br |
Product Overview
propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 514800-22-7), with molecular formula C24H26BrN3O3S and molecular weight 515.09 g/mol. IUPAC: propyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.6993 indicates that propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}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 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 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 propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 514800-22-7.
What is the molecular formula of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C24H26BrN3O3S.
What is the molecular weight of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 515.09 g/mol.
Where can I buy propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}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-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}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.