EINECS 229-556-4
TL;DR: EINECS 229-556-4 (CAS 6608-80-6) is a chemical compound with molecular formula C21H26ClN3O3S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamine
Also Known As: 2-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamine, 2-(2-{[4'-chloro-5-(4,5-dihydro-1h-pyrazol-1-yl)biphenyl-2-yl]sulfonyl}ethoxy)-n,n-dimethylethanamine, 2-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)ethyl(dimethyl)amine, 2-{2-[4'-Chloro-5-(4,5-dihydro-1H-pyrazol-1-yl)[1,1'-biphenyl]-2-sulfonyl]ethoxy}-N,N-dimethylethan-1-amine, EINECS 229-556-4
| Molecular Formula | C21H26ClN3O3S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.13834 |
| Heavy Atoms | 29 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 6608-80-6 |
|---|---|
| SMILES | CN(C)CCOCCS(=O)(=O)C1=C(C=C(C=C1)N2CCC=N2)C3=CC=C(C=C3)Cl |
| InChIKey | YXWITWSXVDBYQY-UHFFFAOYSA-N |
Product Overview
EINECS 229-556-4 (CAS 6608-80-6), with molecular formula C21H26ClN3O3S and molecular weight 435.14 g/mol. IUPAC: 2-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamine.
Chemical Property Profile of EINECS 229-556-4
Property Insights of EINECS 229-556-4
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 229-556-4. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 229-556-4. Following Lipinski's Rule of Five, EINECS 229-556-4 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 EINECS 229-556-4?
The CAS number of EINECS 229-556-4 is 6608-80-6.
What is the molecular formula of EINECS 229-556-4?
The molecular formula of EINECS 229-556-4 is C21H26ClN3O3S.
What is the molecular weight of EINECS 229-556-4?
The molecular weight of EINECS 229-556-4 is 435.14 g/mol.
Where can I buy EINECS 229-556-4?
You can request a quote for EINECS 229-556-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-556-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-556-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.