RefChem:228849
TL;DR: RefChem:228849 (CAS 53533-29-2) is a chemical compound with molecular formula C23H31Cl2FN2O2S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: KST-1B4995, N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-phenylthio-2-hydroxypropyl)piperazine dihydrochloride, 1-Butanone, 1-(4-fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-, dihydrochloride, 1-(4-Fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-1-butanone 2HCl, 1-(4-fluorophenyl)-4-{4-[2-hydroxy-3-(phenylsulfanyl)propyl]piperazin-1-yl}butan-1-one dihydrochloride
| Molecular Formula | C23H31Cl2FN2O2S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 4.403 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.14673 |
| Heavy Atoms | 31 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 53533-29-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O.Cl.Cl |
| InChIKey | PHPUOMKQRFCFGM-UHFFFAOYSA-N |
Product Overview
RefChem:228849 (CAS 53533-29-2), with molecular formula C23H31Cl2FN2O2S and molecular weight 488.15 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228849
Property Insights of RefChem:228849
The XLogP value of 4.403 indicates that RefChem:228849 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228849. Following Lipinski's Rule of Five, RefChem:228849 has 3 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:228849?
The CAS number of RefChem:228849 is 53533-29-2.
What is the molecular formula of RefChem:228849?
The molecular formula of RefChem:228849 is C23H31Cl2FN2O2S.
What is the molecular weight of RefChem:228849?
The molecular weight of RefChem:228849 is 488.15 g/mol.
Where can I buy RefChem:228849?
You can request a quote for RefChem:228849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.