RefChem:325571
TL;DR: RefChem:325571 (CAS 65036-66-0) is a chemical compound with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-chloro-3-(4-((4-(dimethylamino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-chloro-3-(4-(4-dimethylaminobenzylidene)-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 4-chloro-3-[4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid, 4-Chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C19H18ClN3O4S |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.07065 |
| Heavy Atoms | 28 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 65036-66-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)O)Cl |
| InChIKey | CJLLDOWWBVHSAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:325571 (CAS 65036-66-0), with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol. IUPAC: 4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:325571
Property Insights of RefChem:325571
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325571. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325571. Following Lipinski's Rule of Five, RefChem:325571 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 RefChem:325571?
The CAS number of RefChem:325571 is 65036-66-0.
What is the molecular formula of RefChem:325571?
The molecular formula of RefChem:325571 is C19H18ClN3O4S.
What is the molecular weight of RefChem:325571?
The molecular weight of RefChem:325571 is 419.07 g/mol.
Where can I buy RefChem:325571?
You can request a quote for RefChem:325571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.