RefChem:591393
TL;DR: RefChem:591393 (CAS 35441-18-0) is a chemical compound with molecular formula C22H27Cl2N3O3S and molecular weight 483.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylethanamine
Also Known As: Ethanamine, 2-[2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-, 2-(2-((4-(3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)ethyl(dimethyl)amine, Ethanamine, 2-(2-((4-(3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-, [2-(2-{4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonyl}ethoxy)ethyl]dimethylamine, 2-(2-((4-(3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethylethan-1-amine
| Molecular Formula | C22H27Cl2N3O3S |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.11502 |
| Heavy Atoms | 31 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 35441-18-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOCCN(C)C)Cl)Cl |
| InChIKey | GVSKMWDMUCOLRO-UHFFFAOYSA-N |
Product Overview
RefChem:591393 (CAS 35441-18-0), with molecular formula C22H27Cl2N3O3S and molecular weight 483.12 g/mol. IUPAC: 2-[2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylethanamine.
Chemical Property Profile of RefChem:591393
Property Insights of RefChem:591393
The XLogP value of 4.2 indicates that RefChem:591393 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:591393. Following Lipinski's Rule of Five, RefChem:591393 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:591393?
The CAS number of RefChem:591393 is 35441-18-0.
What is the molecular formula of RefChem:591393?
The molecular formula of RefChem:591393 is C22H27Cl2N3O3S.
What is the molecular weight of RefChem:591393?
The molecular weight of RefChem:591393 is 483.12 g/mol.
Where can I buy RefChem:591393?
You can request a quote for RefChem:591393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591393?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.