3N-339S
TL;DR: 3N-339S (CAS 478032-26-7) is a chemical compound with molecular formula C22H20F3NO5S and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone
Also Known As: 3N-339S, 1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone, 1-{1-(2,5-dimethoxyphenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2,2,2-trifluoro-1-ethanone, 1-(1-(2,5-Dimethoxyphenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one, 1-[1-(2,5-dimethoxyphenyl)-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-one
| Molecular Formula | C22H20F3NO5S |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 4.61842 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.10144 |
| Heavy Atoms | 32 |
| Complexity | 1276.1305 |
Chemical Identifiers
| CAS Number | 478032-26-7 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C(F)(F)F |
Product Overview
3N-339S (CAS 478032-26-7), with molecular formula C22H20F3NO5S and molecular weight 467.10 g/mol. IUPAC: 1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of 3N-339S
Property Insights of 3N-339S
The XLogP value of 4.61842 indicates that 3N-339S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3N-339S. Following Lipinski's Rule of Five, 3N-339S has 0 hydrogen bond donor(s) and 5 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 3N-339S?
The CAS number of 3N-339S is 478032-26-7.
What is the molecular formula of 3N-339S?
The molecular formula of 3N-339S is C22H20F3NO5S.
What is the molecular weight of 3N-339S?
The molecular weight of 3N-339S is 467.10 g/mol.
Where can I buy 3N-339S?
You can request a quote for 3N-339S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-339S?
Yes, KEHONG BIO provides custom synthesis services for 3N-339S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.