2H-314S
TL;DR: 2H-314S (CAS 338398-01-9) is a chemical compound with molecular formula C22H20F3NO3S and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-(3-methylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
Also Known As: 2H-314S, 4,6-dimethyl-3-(3-methylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one, 4,6-dimethyl-3-[(3-methylphenyl)sulfonyl]-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone, 4,6-Dimethyl-3-(m-tolylsulfonyl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-one, 4,6-dimethyl-3-(3-methylbenzenesulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one
| Molecular Formula | C22H20F3NO3S |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 4.67346 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1116 |
| Heavy Atoms | 30 |
| Complexity | 1275.5157 |
Chemical Identifiers
| CAS Number | 338398-01-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC3=CC(=CC=C3)C(F)(F)F)C)C |
Product Overview
2H-314S (CAS 338398-01-9), with molecular formula C22H20F3NO3S and molecular weight 435.11 g/mol. IUPAC: 4,6-dimethyl-3-(3-methylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
Chemical Property Profile of 2H-314S
Property Insights of 2H-314S
The XLogP value of 4.67346 indicates that 2H-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 2H-314S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-314S has 0 hydrogen bond donor(s) and 3 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 2H-314S?
The CAS number of 2H-314S is 338398-01-9.
What is the molecular formula of 2H-314S?
The molecular formula of 2H-314S is C22H20F3NO3S.
What is the molecular weight of 2H-314S?
The molecular weight of 2H-314S is 435.11 g/mol.
Where can I buy 2H-314S?
You can request a quote for 2H-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-314S?
Yes, KEHONG BIO provides custom synthesis services for 2H-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.