![4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate structure](/static/products/3182/318284-35-4.webp)
4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate
TL;DR: 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate (CAS 318284-35-4) is a chemical compound with molecular formula C19H19ClN2O3S and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chlorobenzenesulfonate
Also Known As: 5C-035, 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate, [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chlorobenzenesulfonate, 4-[[4-(4-chlorophenyl)sulfonyloxyphenyl]methyl]-1,3,5-trimethyl-pyrazole, 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzene-1-sulfonate
| Molecular Formula | C19H19ClN2O3S |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 4.04884 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0805 |
| Heavy Atoms | 26 |
| Complexity | 1023.89624 |
Chemical Identifiers
| CAS Number | 318284-35-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate (CAS 318284-35-4), with molecular formula C19H19ClN2O3S and molecular weight 390.08 g/mol. IUPAC: [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate
Property Insights of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate
The XLogP value of 4.04884 indicates that 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate has 0 hydrogen bond donor(s) and 4 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-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate?
The CAS number of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate is 318284-35-4.
What is the molecular formula of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate?
The molecular formula of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate is C19H19ClN2O3S.
What is the molecular weight of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate?
The molecular weight of 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate is 390.08 g/mol.
Where can I buy 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate?
You can request a quote for 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.