RefChem:233724
TL;DR: RefChem:233724 (CAS 3458-61-5) is a chemical compound with molecular formula C20H28Cl3N5O2S and molecular weight 507.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]ethanol;trihydrochloride
Also Known As: 4-(2-(p-Methylsulfinylphenyl)imidazo(1,2-a)pyrimidin-3-yl)methyl-1-piperazineethanol, Imidazo(1,2-a)pyrimidine,3-(4-(2-hydroxyethyl)piperazinylmethyl)-2-(p-methylsulfinylphenyl)-, 1-Piperazineethanol, 4-(2-(p-methylsulfinylphenyl)imidazo(1,2-a)pyrimidin-3-yl)methyl-, trihydrochloride, 2-[4-[[2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrimidin-3-y, 2-[4-({2-[4-(Methylsulfinyl)phenyl]imidazo[1,2-a]pyrimidin-3-yl}methyl)-1-piperazinyl]ethanol trihydrochloride
| Molecular Formula | C20H28Cl3N5O2S |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 2.509 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.10294 |
| Heavy Atoms | 31 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 3458-61-5 |
|---|---|
| SMILES | CS(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCN(CC4)CCO.Cl.Cl.Cl |
| InChIKey | UCIAQQZTEGUTRX-UHFFFAOYSA-N |
Product Overview
RefChem:233724 (CAS 3458-61-5), with molecular formula C20H28Cl3N5O2S and molecular weight 507.10 g/mol. IUPAC: 2-[4-[[2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]ethanol;trihydrochloride.
Chemical Property Profile of RefChem:233724
Property Insights of RefChem:233724
The XLogP value of 2.509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233724. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233724. Following Lipinski's Rule of Five, RefChem:233724 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:233724?
The CAS number of RefChem:233724 is 3458-61-5.
What is the molecular formula of RefChem:233724?
The molecular formula of RefChem:233724 is C20H28Cl3N5O2S.
What is the molecular weight of RefChem:233724?
The molecular weight of RefChem:233724 is 507.10 g/mol.
Where can I buy RefChem:233724?
You can request a quote for RefChem:233724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233724?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.