12M-319S
TL;DR: 12M-319S (CAS 189501-17-5) is a chemical compound with molecular formula C20H15F4NO3S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanone
Also Known As: 12M-319S, 2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanone, 2,2,2-trifluoro-1-[1-(4-fluorophenyl)-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one, 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone, 2,2,2-Trifluoro-1-[1-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-pyrrol-3-yl]-ethanone
| Molecular Formula | C20H15F4NO3S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.74032 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0709 |
| Heavy Atoms | 29 |
| Complexity | 1176.2046 |
Chemical Identifiers
| CAS Number | 189501-17-5 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C(F)(F)F |
Product Overview
12M-319S (CAS 189501-17-5), with molecular formula C20H15F4NO3S and molecular weight 425.07 g/mol. IUPAC: 2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanone.
Chemical Property Profile of 12M-319S
Property Insights of 12M-319S
The XLogP value of 4.74032 indicates that 12M-319S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 12M-319S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12M-319S 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 12M-319S?
The CAS number of 12M-319S is 189501-17-5.
What is the molecular formula of 12M-319S?
The molecular formula of 12M-319S is C20H15F4NO3S.
What is the molecular weight of 12M-319S?
The molecular weight of 12M-319S is 425.07 g/mol.
Where can I buy 12M-319S?
You can request a quote for 12M-319S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-319S?
Yes, KEHONG BIO provides custom synthesis services for 12M-319S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.