RefChem:117963
TL;DR: RefChem:117963 (CAS 63123-38-6) is a chemical compound with molecular formula C18H25N3O4S and molecular weight 379.1566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methyl-5-oxo-4-propan-2-ylidenepyrazol-1-yl)benzenesulfonic acid;piperidine
Also Known As: Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-4-(1-methylethylidene)-5-oxo-1H-pyrazol-1-yl]-, compd. with piperidine (1:1), 4-[3-methyl-5-oxo-4-(propan-2-ylidene)-4,5-dihydro-1h-pyrazol-1-yl]benzenesulfonic acid-piperidine(1:1), Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(1-methylethylidene)-5-oxo-1H-pyrazol-1-yl)-, compd. with piperidine (1:1), 4-(3-methyl-5-oxo-4-propan-2-ylidenepyrazol-1-yl)benzenesulfonic acid; piperidine, 4-(4,5-Dihydro-4-isopropylidene-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, compound with piperidine (1:1)
Technical Specifications
| Molecular Formula | C18H25N3O4S |
| Molecular Weight | 379.1566 g/mol |
| XLogP | 2.75 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.1566 Da |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
| SMILES | CC1=NN(C(=O)C1=C(C)C)C2=CC=C(C=C2)S(=O)(=O)O.C1CCNCC1 |
| InChIKey | GTQMXBLMIIGFDJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:117963
Property Insights of RefChem:117963
The XLogP value of 2.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117963. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117963. Following Lipinski's Rule of Five, RefChem:117963 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:117963?
The CAS number of RefChem:117963 is 63123-38-6.
What is the molecular formula of RefChem:117963?
The molecular formula of RefChem:117963 is C18H25N3O4S.
What is the molecular weight of RefChem:117963?
The molecular weight of RefChem:117963 is 379.1566 g/mol.
Where can I buy RefChem:117963?
You can request a quote for RefChem:117963 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:117963?
Yes, CoreyChem provides custom synthesis services for RefChem:117963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.