4H-496S
TL;DR: 4H-496S (CAS 338422-14-3) is a chemical compound with molecular formula C20H22ClF3N2OS and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
Also Known As: 4H-496S, 1-(4-chlorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol, 1-[(4-chlorophenyl)sulfanyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-2-propanol, 1-[(4-chlorophenyl)sulfanyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol
| Molecular Formula | C20H22ClF3N2OS |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 4.634 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.10934 |
| Heavy Atoms | 28 |
| Complexity | 764.79126 |
Chemical Identifiers
| CAS Number | 338422-14-3 |
|---|---|
| SMILES | C1CN(CCN1CC(CSC2=CC=C(C=C2)Cl)O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
4H-496S (CAS 338422-14-3), with molecular formula C20H22ClF3N2OS and molecular weight 430.11 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
Chemical Property Profile of 4H-496S
Property Insights of 4H-496S
The XLogP value of 4.634 indicates that 4H-496S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 4H-496S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-496S has 1 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 4H-496S?
The CAS number of 4H-496S is 338422-14-3.
What is the molecular formula of 4H-496S?
The molecular formula of 4H-496S is C20H22ClF3N2OS.
What is the molecular weight of 4H-496S?
The molecular weight of 4H-496S is 430.11 g/mol.
Where can I buy 4H-496S?
You can request a quote for 4H-496S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-496S?
Yes, KEHONG BIO provides custom synthesis services for 4H-496S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.