CTK4H6935
TL;DR: CTK4H6935 (CAS 3663-96-5) is a chemical compound with molecular formula C21H19ClN2O6S and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid(2Z)-,mono[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl]ester (9CI)
| Molecular Formula | C21H19ClN2O6S |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.06525 |
| Heavy Atoms | 31 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 3663-96-5 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)CCOC(=O)C=CC(=O)O |
| InChIKey | CVCDYYJPSNZSDD-UHFFFAOYSA-N |
Product Overview
CTK4H6935 (CAS 3663-96-5), with molecular formula C21H19ClN2O6S and molecular weight 462.07 g/mol. IUPAC: 4-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of CTK4H6935
Property Insights of CTK4H6935
The XLogP value of 3.0 indicates that CTK4H6935 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4H6935. Following Lipinski's Rule of Five, CTK4H6935 has 1 hydrogen bond donor(s) and 8 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 CTK4H6935?
The CAS number of CTK4H6935 is 3663-96-5.
What is the molecular formula of CTK4H6935?
The molecular formula of CTK4H6935 is C21H19ClN2O6S.
What is the molecular weight of CTK4H6935?
The molecular weight of CTK4H6935 is 462.07 g/mol.
Where can I buy CTK4H6935?
You can request a quote for CTK4H6935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H6935?
Yes, KEHONG BIO provides custom synthesis services for CTK4H6935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.