5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate
TL;DR: 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate (CAS 442679-02-9) is a chemical compound with molecular formula C17H13Cl2N3O4S and molecular weight 425.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,4-dichlorobenzoate
Also Known As: 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate, AB00668359-01, 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dichlorobenzoate, F0549-0278, [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,4-dichlorobenzoate
| Molecular Formula | C17H13Cl2N3O4S |
|---|---|
| Molecular Weight | 425.00 g/mol |
| LogP | 3.53672 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0004 |
| Heavy Atoms | 27 |
| Complexity | 1125.5803 |
Chemical Identifiers
| CAS Number | 442679-02-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)N |
Product Overview
5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate (CAS 442679-02-9), with molecular formula C17H13Cl2N3O4S and molecular weight 425.00 g/mol. IUPAC: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,4-dichlorobenzoate.
Chemical Property Profile of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate
Property Insights of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate
The XLogP value of 3.53672 indicates that 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate 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 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate?
The CAS number of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate is 442679-02-9.
What is the molecular formula of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate?
The molecular formula of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate is C17H13Cl2N3O4S.
What is the molecular weight of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate?
The molecular weight of 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate is 425.00 g/mol.
Where can I buy 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate?
You can request a quote for 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-tosyl-1H-pyrazol-3-yl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.