5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate
TL;DR: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate (CAS 442679-00-7) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10 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] 4-ethoxybenzoate
Also Known As: UPCMLD0ENAT5605133:001, 5-amino-1-tosyl-1H-pyrazol-3-yl 4-ethoxybenzoate, AB00668358-01, 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate, F0549-0276
| Molecular Formula | C19H19N3O5S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.62862 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.10455 |
| Heavy Atoms | 28 |
| Complexity | 1087.6027 |
Chemical Identifiers
| CAS Number | 442679-00-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate (CAS 442679-00-7), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-ethoxybenzoate.
Chemical Property Profile of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate
Property Insights of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate
The XLogP value of 2.62862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate. The TPSA of 113.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate. Following Lipinski's Rule of Five, 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate has 1 hydrogen bond donor(s) and 7 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-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate?
The CAS number of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate is 442679-00-7.
What is the molecular formula of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate?
The molecular formula of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate is C19H19N3O5S.
What is the molecular weight of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate?
The molecular weight of 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate is 401.10 g/mol.
Where can I buy 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate?
You can request a quote for 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate 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-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.