RefChem:117968
TL;DR: RefChem:117968 (CAS 62609-93-2) is a chemical compound with molecular formula C25H37N3O4S and molecular weight 475.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid
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 N,N-diethylethanamine (1:1), 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 N,N-diethylethanamine (1:1), N,N-diethylethanamine;4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid, RefChem:117968
| Molecular Formula | C25H37N3O4S |
|---|---|
| Molecular Weight | 475.25 g/mol |
| LogP | 5.07 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.2505 |
| Heavy Atoms | 33 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 62609-93-2 |
|---|---|
| SMILES | CCN(CC)CC.CC1=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)CC(C1)(C)C |
| InChIKey | JFAHIWKRNXKGQD-UHFFFAOYSA-N |
Product Overview
RefChem:117968 (CAS 62609-93-2), with molecular formula C25H37N3O4S and molecular weight 475.25 g/mol. IUPAC: N,N-diethylethanamine;4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:117968
Property Insights of RefChem:117968
The XLogP value of 5.07 indicates that RefChem:117968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117968. Following Lipinski's Rule of Five, RefChem:117968 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117968?
The CAS number of RefChem:117968 is 62609-93-2.
What is the molecular formula of RefChem:117968?
The molecular formula of RefChem:117968 is C25H37N3O4S.
What is the molecular weight of RefChem:117968?
The molecular weight of RefChem:117968 is 475.25 g/mol.
Where can I buy RefChem:117968?
You can request a quote for RefChem:117968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.