5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate
TL;DR: 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate (CAS 1024077-37-9) is a chemical compound with molecular formula C11H10ClN3O4S and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-1-methylsulfonylpyrazol-3-yl) 3-chlorobenzoate
Also Known As: (5-amino-1-methylsulfonylpyrazol-3-yl) 3-chlorobenzoate, 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate, 5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 3-chlorobenzoate, F0625-0003, (5-amino-1-methylsulfonyl-pyrazol-3-yl) 3-chlorobenzoate
| Molecular Formula | C11H10ClN3O4S |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 1.1456 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.00806 |
| Heavy Atoms | 20 |
| Complexity | 769.72546 |
Chemical Identifiers
| CAS Number | 1024077-37-9 |
|---|---|
| SMILES | CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC(=CC=C2)Cl)N |
Product Overview
5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate (CAS 1024077-37-9), with molecular formula C11H10ClN3O4S and molecular weight 315.01 g/mol. IUPAC: (5-amino-1-methylsulfonylpyrazol-3-yl) 3-chlorobenzoate.
Chemical Property Profile of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate
Property Insights of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate
The XLogP value of 1.1456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate. Following Lipinski's Rule of Five, 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate 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-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate?
The CAS number of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate is 1024077-37-9.
What is the molecular formula of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate?
The molecular formula of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate is C11H10ClN3O4S.
What is the molecular weight of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate?
The molecular weight of 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate is 315.01 g/mol.
Where can I buy 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate?
You can request a quote for 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate 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-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.