![4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate structure](/static/products/514/514219-58-0.png)
4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate
TL;DR: 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate (CAS 514219-58-0) is a chemical compound with molecular formula C19H17ClN4O4S and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
Also Known As: 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate, [4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate, (E)-4-((2-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)hydrazono)methyl)phenyl 4-methylbenzenesulfonate, 4-({(E)-2-[(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]HYDRAZONO}METHYL)PHENYL 4-METHYL-1-BENZENESULFONATE, 4-[(E)-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-methylbenzenesulfonate
| Molecular Formula | C19H17ClN4O4S |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 2.91352 |
| Topological Polar Surface Area | 102.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.06592 |
| Heavy Atoms | 29 |
| Complexity | 1153.9248 |
Chemical Identifiers
| CAS Number | 514219-58-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=NN(C=C3Cl)C |
Product Overview
4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate (CAS 514219-58-0), with molecular formula C19H17ClN4O4S and molecular weight 432.07 g/mol. IUPAC: [4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate
Property Insights of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate
The XLogP value of 2.91352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate. The TPSA of 102.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 6 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 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate?
The CAS number of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate is 514219-58-0.
What is the molecular formula of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate?
The molecular formula of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate is C19H17ClN4O4S.
What is the molecular weight of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate?
The molecular weight of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate is 432.07 g/mol.
Where can I buy 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate?
You can request a quote for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.