Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-
TL;DR: Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- (CAS 68227-68-9) is a chemical compound with molecular formula C10H10ClN3O3S and molecular weight 287.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonic acid
Also Known As: 3-(5-amino-3-methyl-1h-pyrazol-1-yl)-4-chlorobenzenesulfonic acid, Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-, 1-(2-Chloro-5-sulfophenyl)-3-methyl-5-aminopyrazole, 2-(2'-Chloro-5'-sulfophenyl)-5-methyl-3-pyrazolamine, 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-4-chlorobenzenesulphonic acid
| Molecular Formula | C10H10ClN3O3S |
|---|---|
| Molecular Weight | 287.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.01315 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 68227-68-9 |
|---|---|
| SMILES | CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)O)Cl |
| InChIKey | LVSMGNXVKQOJGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- (CAS 68227-68-9), with molecular formula C10H10ClN3O3S and molecular weight 287.01 g/mol. IUPAC: 3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-
Property Insights of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- has 2 hydrogen bond donor(s) and 5 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 Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-?
The CAS number of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- is 68227-68-9.
What is the molecular formula of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-?
The molecular formula of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- is C10H10ClN3O3S.
What is the molecular weight of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-?
The molecular weight of Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- is 287.01 g/mol.
Where can I buy Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-?
You can request a quote for Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.