RefChem:435863
TL;DR: RefChem:435863 (CAS 6608-82-8) is a chemical compound with molecular formula C22H28ClN3O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine
Also Known As: 1-Propanamine, 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-, 1-Propanamine, 2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-, 2-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)-N,N-dimethylpropylamine, 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine, [2-(2-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonyl}ethoxy)propyl]dimethylamine
| Molecular Formula | C22H28ClN3O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.154 |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 6608-82-8 |
|---|---|
| SMILES | CC(CN(C)C)OCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | WLROGNWKSOTRSC-UHFFFAOYSA-N |
Product Overview
RefChem:435863 (CAS 6608-82-8), with molecular formula C22H28ClN3O3S and molecular weight 449.15 g/mol. IUPAC: 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:435863
Property Insights of RefChem:435863
The XLogP value of 3.7 indicates that RefChem:435863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:435863. Following Lipinski's Rule of Five, RefChem:435863 has 0 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:435863?
The CAS number of RefChem:435863 is 6608-82-8.
What is the molecular formula of RefChem:435863?
The molecular formula of RefChem:435863 is C22H28ClN3O3S.
What is the molecular weight of RefChem:435863?
The molecular weight of RefChem:435863 is 449.15 g/mol.
Where can I buy RefChem:435863?
You can request a quote for RefChem:435863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.