5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
TL;DR: 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate (CAS 442679-03-0) is a chemical compound with molecular formula C17H13ClN4O6S and molecular weight 436.02 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-chloro-5-nitrobenzoate
Also Known As: 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate, [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-chloro-5-nitrobenzoate, F0549-0282, [5-amino-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-chloro-5-nitro-benzoate, 5-AMINO-1-(4-METHYLBENZENESULFONYL)-1H-PYRAZOL-3-YL 2-CHLORO-5-NITROBENZOATE
| Molecular Formula | C17H13ClN4O6S |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 2.79152 |
| Topological Polar Surface Area | 147.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.02444 |
| Heavy Atoms | 29 |
| Complexity | 1221.2202 |
Chemical Identifiers
| CAS Number | 442679-03-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N |
Product Overview
5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate (CAS 442679-03-0), with molecular formula C17H13ClN4O6S and molecular weight 436.02 g/mol. IUPAC: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-chloro-5-nitrobenzoate.
Chemical Property Profile of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
Property Insights of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
The XLogP value of 2.79152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate. The TPSA of 147.42 Ų indicates high polarity, suggesting 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate has 1 hydrogen bond donor(s) and 8 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-chloro-5-nitrobenzoate?
The CAS number of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate is 442679-03-0.
What is the molecular formula of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate?
The molecular formula of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate is C17H13ClN4O6S.
What is the molecular weight of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate?
The molecular weight of 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate is 436.02 g/mol.
Where can I buy 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate?
You can request a quote for 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate 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-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-tosyl-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.