4N-359S
TL;DR: 4N-359S (CAS 338749-72-7) is a chemical compound with molecular formula C19H15ClF3NO2S and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
Also Known As: 4N-359S, 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole, 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methanesulfonylphenyl)-5-methyl-1H-pyrrole, 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrole, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[4-(methanesulfonyl)phenyl]-5-methyl-1H-pyrrole
| Molecular Formula | C19H15ClF3NO2S |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 5.52842 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.04642 |
| Heavy Atoms | 27 |
| Complexity | 1100.9738 |
Chemical Identifiers
| CAS Number | 338749-72-7 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)S(=O)(=O)C |
Product Overview
4N-359S (CAS 338749-72-7), with molecular formula C19H15ClF3NO2S and molecular weight 413.05 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrole.
Chemical Property Profile of 4N-359S
Property Insights of 4N-359S
The XLogP value of 5.52842 indicates that 4N-359S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.07 Ų, 4N-359S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-359S has 0 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 4N-359S?
The CAS number of 4N-359S is 338749-72-7.
What is the molecular formula of 4N-359S?
The molecular formula of 4N-359S is C19H15ClF3NO2S.
What is the molecular weight of 4N-359S?
The molecular weight of 4N-359S is 413.05 g/mol.
Where can I buy 4N-359S?
You can request a quote for 4N-359S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-359S?
Yes, KEHONG BIO provides custom synthesis services for 4N-359S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.