4H-845S
TL;DR: 4H-845S (CAS 338422-33-6) is a chemical compound with molecular formula C20H22F4N2OS and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol
Also Known As: 4H-845S, 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}propan-2-ol, 1-[4-(4-fluorophenyl)piperazino]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-propanol, 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol, 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanyl-propan-2-ol
| Molecular Formula | C20H22F4N2OS |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.1197 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1389 |
| Heavy Atoms | 28 |
| Complexity | 761.54614 |
Chemical Identifiers
| CAS Number | 338422-33-6 |
|---|---|
| SMILES | C1CN(CCN1CC(CSC2=CC=CC(=C2)C(F)(F)F)O)C3=CC=C(C=C3)F |
Product Overview
4H-845S (CAS 338422-33-6), with molecular formula C20H22F4N2OS and molecular weight 414.14 g/mol. IUPAC: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol.
Chemical Property Profile of 4H-845S
Property Insights of 4H-845S
The XLogP value of 4.1197 indicates that 4H-845S 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-845S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-845S 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-845S?
The CAS number of 4H-845S is 338422-33-6.
What is the molecular formula of 4H-845S?
The molecular formula of 4H-845S is C20H22F4N2OS.
What is the molecular weight of 4H-845S?
The molecular weight of 4H-845S is 414.14 g/mol.
Where can I buy 4H-845S?
You can request a quote for 4H-845S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-845S?
Yes, KEHONG BIO provides custom synthesis services for 4H-845S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.