5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate
TL;DR: 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate (CAS 442678-91-3) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 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] 2,2-dimethylpropanoate
Also Known As: 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate, [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate, 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 2,2-dimethylpropanoate, [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate, 2,2-dimethylpropionic acid (5-amino-1-besyl-pyrazol-3-yl) ester
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 1.6538 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 789.2406 |
Chemical Identifiers
| CAS Number | 442678-91-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=NN(C(=C1)N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate (CAS 442678-91-3), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate
Property Insights of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate
The XLogP value of 1.6538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate. Following Lipinski's Rule of Five, 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate 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-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate?
The CAS number of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate is 442678-91-3.
What is the molecular formula of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate?
The molecular formula of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate is C14H17N3O4S.
What is the molecular weight of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate?
The molecular weight of 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate is 323.09 g/mol.
Where can I buy 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate?
You can request a quote for 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate 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-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.