![(5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide structure](/static/products/879/879472-36-3.png)
(5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide
TL;DR: (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide (CAS 879472-36-3) is a chemical compound with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-5-methylphenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
Also Known As: (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide, 3-(2-hydroxy-5-methylphenyl)-N-(4-((2-methylpiperidin-1-yl)sulfonyl)phenyl)-1H-pyrazole-5-carboxamide, 3-(2-hydroxy-5-methylphenyl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-5-carboxamide, 5-(2-hydroxy-5-methylphenyl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide, 5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C23H26N4O4S |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 3.90612 |
| Topological Polar Surface Area | 115.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.16748 |
| Heavy Atoms | 32 |
| Complexity | 1235.1372 |
Chemical Identifiers
| CAS Number | 879472-36-3 |
|---|---|
| SMILES | CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NN3)C4=C(C=CC(=C4)C)O |
Product Overview
(5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide (CAS 879472-36-3), with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol. IUPAC: 3-(2-hydroxy-5-methylphenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide
Property Insights of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide
The XLogP value of 3.90612 indicates that (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide. Following Lipinski's Rule of Five, (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide has 3 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 (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide?
The CAS number of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide is 879472-36-3.
What is the molecular formula of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide?
The molecular formula of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide is C23H26N4O4S.
What is the molecular weight of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide?
The molecular weight of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide is 454.17 g/mol.
Where can I buy (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide?
You can request a quote for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2-dihydropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.