5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
TL;DR: 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate (CAS 442678-87-7) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate
Also Known As: AB00668354-01, 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate, [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate, F0549-0225, 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl 4-(tert-butyl)benzoate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.219 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1096.6027 |
Chemical Identifiers
| CAS Number | 442678-87-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate (CAS 442678-87-7), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate.
Chemical Property Profile of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
Property Insights of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
The XLogP value of 3.219 indicates that 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate 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-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate. Following Lipinski's Rule of Five, 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate 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-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate?
The CAS number of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate is 442678-87-7.
What is the molecular formula of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate?
The molecular formula of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate is C20H21N3O4S.
What is the molecular weight of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate?
The molecular weight of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate is 399.13 g/mol.
Where can I buy 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate?
You can request a quote for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate 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-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.