RefChem:509279
TL;DR: RefChem:509279 (CAS 23786-20-1) is a chemical compound with molecular formula C21H25ClN4O3S and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpiperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-Piperazineethanol, 4-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-, 4-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)piperazine-1-ethanol, 4-((4-(3-(4-Chlorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-1-piperazineethanol, 4-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)piperazine-1-ethanol
| Molecular Formula | C21H25ClN4O3S |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.13358 |
| Heavy Atoms | 30 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 23786-20-1 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CCO |
| InChIKey | WXKJQQTYGXGVQD-UHFFFAOYSA-N |
Product Overview
RefChem:509279 (CAS 23786-20-1), with molecular formula C21H25ClN4O3S and molecular weight 448.13 g/mol. IUPAC: 2-[4-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpiperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:509279
Property Insights of RefChem:509279
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:509279. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509279. Following Lipinski's Rule of Five, RefChem:509279 has 1 hydrogen bond donor(s) and 7 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:509279?
The CAS number of RefChem:509279 is 23786-20-1.
What is the molecular formula of RefChem:509279?
The molecular formula of RefChem:509279 is C21H25ClN4O3S.
What is the molecular weight of RefChem:509279?
The molecular weight of RefChem:509279 is 448.13 g/mol.
Where can I buy RefChem:509279?
You can request a quote for RefChem:509279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509279?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.