Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-
TL;DR: Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- (CAS 68083-38-5) is a chemical compound with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-imino-3-methyl-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: m- benzenesulphonicacid, m-(4,5-Dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid, Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-, 3-(3-Methyl-5-imino-2-pyrazolin-1-yl)benzenesulfonic acid, 3-(5-imino-3-methyl-4H-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C10H11N3O3S |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05211 |
| Heavy Atoms | 17 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 68083-38-5 |
|---|---|
| SMILES | CC1=NN(C(=N)C1)C2=CC(=CC=C2)S(=O)(=O)O |
| InChIKey | INHXSMASASFALB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- (CAS 68083-38-5), with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol. IUPAC: 3-(5-imino-3-methyl-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-
Property Insights of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- 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-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-?
The CAS number of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- is 68083-38-5.
What is the molecular formula of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-?
The molecular formula of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- is C10H11N3O3S.
What is the molecular weight of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-?
The molecular weight of Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- is 253.05 g/mol.
Where can I buy Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-?
You can request a quote for Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- 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-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.