RefChem:117969
TL;DR: RefChem:117969 (CAS 62609-94-3) is a chemical compound with molecular formula C24H33N3O4S and molecular weight 459.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid;piperidine
Also Known As: Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-1H-pyrazol-1-yl]-, compd. with piperidine (1:1), 4-[3-Methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid;piperidine, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-1H-pyrazol-1-yl)-, compd. with piperidine (1:1), RefChem:117969
| Molecular Formula | C24H33N3O4S |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 4.48 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.21918 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 62609-94-3 |
|---|---|
| SMILES | CC1=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)CC(C1)(C)C.C1CCNCC1 |
| InChIKey | UGNVAXACPRSWDE-UHFFFAOYSA-N |
Product Overview
RefChem:117969 (CAS 62609-94-3), with molecular formula C24H33N3O4S and molecular weight 459.22 g/mol. IUPAC: 4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid;piperidine.
Chemical Property Profile of RefChem:117969
Property Insights of RefChem:117969
The XLogP value of 4.48 indicates that RefChem:117969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117969. Following Lipinski's Rule of Five, RefChem:117969 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
Frequently Asked Questions
What is the CAS number of RefChem:117969?
The CAS number of RefChem:117969 is 62609-94-3.
What is the molecular formula of RefChem:117969?
The molecular formula of RefChem:117969 is C24H33N3O4S.
What is the molecular weight of RefChem:117969?
The molecular weight of RefChem:117969 is 459.22 g/mol.
Where can I buy RefChem:117969?
You can request a quote for RefChem:117969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117969?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.