![3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide structure](/static/products/879/879575-65-2.png)
3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
TL;DR: 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide (CAS 879575-65-2) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
Also Known As: 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide, (5E)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide, (5Z)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide, 3-(2-hydroxy-4,5-dimethylphenyl)-N-(3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-pyrazole-5-carboxamide, 5-(2-Hydroxy-4,5-dimethyl-phenyl)-2H-pyrazole-3-carboxylic acid (3-methylcarbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.95134 |
| Topological Polar Surface Area | 107.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1145.7019 |
Chemical Identifiers
| CAS Number | 879575-65-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC |
Product Overview
3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide (CAS 879575-65-2), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
Property Insights of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
The XLogP value of 3.95134 indicates that 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide has 4 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 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide?
The CAS number of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide is 879575-65-2.
What is the molecular formula of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide?
The molecular formula of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide is C22H24N4O3S.
What is the molecular weight of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide?
The molecular weight of 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide is 424.16 g/mol.
Where can I buy 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide?
You can request a quote for 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.