Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate
TL;DR: Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate (CAS 62831-98-5) is a chemical compound with molecular formula C22H28ClN3O4S and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxy-N,N-diethylethanamine;methanesulfonic acid
Also Known As: Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate, 2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxy-N,N-diethylethanamine; methanesulfonic acid, 2-[1-(4-chlorophenyl)-4-phenyl-pyrazol-3-yl]oxy-N,N-diethyl-ethanamine; Methanesulfonic Acid, Methanesulfonic acid--2-{[1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl]oxy}-N,N-diethylethan-1-amine (1/1), RefChem:339797
| Molecular Formula | C22H28ClN3O4S |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 4.4173 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1489 |
| Heavy Atoms | 31 |
| Complexity | 1026.3778 |
Chemical Identifiers
| CAS Number | 62831-98-5 |
|---|---|
| SMILES | CCN(CC)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl.CS(=O)(=O)O |
Product Overview
Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate (CAS 62831-98-5), with molecular formula C22H28ClN3O4S and molecular weight 465.15 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxy-N,N-diethylethanamine;methanesulfonic acid.
Chemical Property Profile of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate
Property Insights of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate
The XLogP value of 4.4173 indicates that Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate. Following Lipinski's Rule of Five, Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate has 1 hydrogen bond donor(s) and 5 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 Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate?
The CAS number of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate is 62831-98-5.
What is the molecular formula of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate?
The molecular formula of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate is C22H28ClN3O4S.
What is the molecular weight of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate?
The molecular weight of Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate is 465.15 g/mol.
Where can I buy Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate?
You can request a quote for Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.