2H-417S
TL;DR: 2H-417S (CAS 338398-70-2) is a chemical compound with molecular formula C21H15F4NOS and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-3-(trifluoromethyl)benzamide
Also Known As: 2H-417S, N-(4-{[(4-fluorophenyl)sulfanyl]methyl}phenyl)-3-(trifluoromethyl)benzenecarboxamide, N-(4-{[(4-fluorophenyl)sulfanyl]methyl}phenyl)-3-(trifluoromethyl)benzamide, N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H15F4NOS |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 6.3891 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.08105 |
| Heavy Atoms | 28 |
| Complexity | 953.38965 |
Chemical Identifiers
| CAS Number | 338398-70-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)CSC3=CC=C(C=C3)F |
Product Overview
2H-417S (CAS 338398-70-2), with molecular formula C21H15F4NOS and molecular weight 405.08 g/mol. IUPAC: N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 2H-417S
Property Insights of 2H-417S
The XLogP value of 6.3891 indicates that 2H-417S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2H-417S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-417S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-417S?
The CAS number of 2H-417S is 338398-70-2.
What is the molecular formula of 2H-417S?
The molecular formula of 2H-417S is C21H15F4NOS.
What is the molecular weight of 2H-417S?
The molecular weight of 2H-417S is 405.08 g/mol.
Where can I buy 2H-417S?
You can request a quote for 2H-417S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-417S?
Yes, KEHONG BIO provides custom synthesis services for 2H-417S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.