![5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide structure](/static/products/879/879466-56-5.png)
5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
TL;DR: 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide (CAS 879466-56-5) is a chemical compound with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
Also Known As: 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide, (5Z)-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide, 3-(5-chloro-2-hydroxyphenyl)-N-(3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-pyrazole-5-carboxamide, 5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C21H21ClN4O3S |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 4.378 |
| Topological Polar Surface Area | 107.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.1023 |
| Heavy Atoms | 30 |
| Complexity | 1121.6521 |
Chemical Identifiers
| CAS Number | 879466-56-5 |
|---|---|
| SMILES | CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3)C4=C(C=CC(=C4)Cl)O |
Product Overview
5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide (CAS 879466-56-5), with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol. IUPAC: 3-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Property Insights of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
The XLogP value of 4.378 indicates that 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-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 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-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 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The CAS number of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is 879466-56-5.
What is the molecular formula of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The molecular formula of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is C21H21ClN4O3S.
What is the molecular weight of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The molecular weight of 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is 444.10 g/mol.
Where can I buy 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
You can request a quote for 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-chloro-2-hydroxyphenyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.