![4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate structure](/static/products/514/514220-47-4.png)
4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate
TL;DR: 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate (CAS 514220-47-4) is a chemical compound with molecular formula C18H15ClN4O4S and molecular weight 418.05 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] benzenesulfonate
Also Known As: 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate, [4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzenesulfonate, (E)-4-((2-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)hydrazono)methyl)phenyl benzenesulfonate, 4-({(E)-2-[(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]HYDRAZONO}METHYL)PHENYL 1-BENZENESULFONATE, 4-[(E)-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinylidene}methyl]phenyl benzenesulfonate
| Molecular Formula | C18H15ClN4O4S |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 2.6051 |
| Topological Polar Surface Area | 102.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.05026 |
| Heavy Atoms | 28 |
| Complexity | 1110.2472 |
Chemical Identifiers
| CAS Number | 514220-47-4 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N/N=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)Cl |
Product Overview
4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate (CAS 514220-47-4), with molecular formula C18H15ClN4O4S and molecular weight 418.05 g/mol. IUPAC: [4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzenesulfonate.
Chemical Property Profile of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate
Property Insights of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate
The XLogP value of 2.6051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate. 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 benzenesulfonate. Following Lipinski's Rule of Five, 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate 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 benzenesulfonate?
The CAS number of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate is 514220-47-4.
What is the molecular formula of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate?
The molecular formula of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate is C18H15ClN4O4S.
What is the molecular weight of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate?
The molecular weight of 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate is 418.05 g/mol.
Where can I buy 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate?
You can request a quote for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate 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 benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbohydrazonoyl}phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.