N-(4-fluorophenyl)-N-(methylsulfonyl)alanine
TL;DR: N-(4-fluorophenyl)-N-(methylsulfonyl)alanine (CAS 1008066-93-0) is a chemical compound with molecular formula C10H12FNO4S and molecular weight 261.04712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
Also Known As: N-(4-fluorophenyl)-N-(methylsulfonyl)alanine, 2-(4-fluoro-N-methylsulfonylanilino)propanoic acid, 2-[N-(4-fluorophenyl)methanesulfonamido]propanoic acid, alanine, N-(4-fluorophenyl)-N-(methylsulfonyl)-, 2-(4-fluoro-N-methylsulfonyl-anilino)propanoic acid
Technical Specifications
| Molecular Formula | C10H12FNO4S |
| Molecular Weight | 261.04712 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04712 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | CC(C(=O)O)N(C1=CC=C(C=C1)F)S(=O)(=O)C |
| InChIKey | OYKQXERXKOJUFQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine
Property Insights of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-N-(methylsulfonyl)alanine. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-N-(methylsulfonyl)alanine. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-N-(methylsulfonyl)alanine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine?
The CAS number of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine is 1008066-93-0.
What is the molecular formula of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine?
The molecular formula of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine is C10H12FNO4S.
What is the molecular weight of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine?
The molecular weight of N-(4-fluorophenyl)-N-(methylsulfonyl)alanine is 261.04712 g/mol.
Where can I buy N-(4-fluorophenyl)-N-(methylsulfonyl)alanine?
You can request a quote for N-(4-fluorophenyl)-N-(methylsulfonyl)alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-fluorophenyl)-N-(methylsulfonyl)alanine?
Yes, CoreyChem provides custom synthesis services for N-(4-fluorophenyl)-N-(methylsulfonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.