S 1592
TL;DR: S 1592 (CAS 25552-58-3) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S 1592
2-hydroxy-N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
Also Known As: 5-methyl-1-phenylhexanone, 1-Phenethyl-4-hydroxysalicylamido-4-methylpiperidine hydrochloride, 1-Phenaethyl-4-hydroxy-salicylamido-4-methyl-piperidin-hydrochlorid [German], Phenethyl-1 hydroxy-4 salicylamido methyl-4 piperidine chlorhydrate [French], 1-Phenaethyl-4-hydroxy-salicylamido-4-methyl-piperidin-hydrochlorid
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 2.6134 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 25552-58-3 |
|---|---|
| SMILES | C1CN(CCC1(CNC(=O)C2=CC=CC=C2O)O)CCC3=CC=CC=C3.Cl |
| InChIKey | WOZFZYPQRRUPHL-UHFFFAOYSA-N |
Product Overview
S 1592 (CAS 25552-58-3), with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol. IUPAC: 2-hydroxy-N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
Chemical Property Profile of S 1592
Property Insights of S 1592
The XLogP value of 2.6134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S 1592. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S 1592. Following Lipinski's Rule of Five, S 1592 has 4 hydrogen bond donor(s) and 4 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 S 1592?
The CAS number of S 1592 is 25552-58-3.
What is the molecular formula of S 1592?
The molecular formula of S 1592 is C21H27ClN2O3.
What is the molecular weight of S 1592?
The molecular weight of S 1592 is 390.17 g/mol.
Where can I buy S 1592?
You can request a quote for S 1592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 1592?
Yes, KEHONG BIO provides custom synthesis services for S 1592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.