Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate
TL;DR: Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate (CAS 1008235-58-2) is a chemical compound with molecular formula C11H14FNO4S and molecular weight 275.06274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-fluoro-N-methylsulfonylanilino)propanoate
Also Known As: Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate, methyl 2-(4-fluoro-N-methylsulfonylanilino)propanoate, MethylN-(4-fluorophenyl)-N-(methylsulfonyl)alaninate, alanine, N-(4-fluorophenyl)-N-(methylsulfonyl)-, methyl ester, METHYL 2-[N-(4-FLUOROPHENYL)METHANESULFONAMIDO]PROPANOATE
Technical Specifications
| Molecular Formula | C11H14FNO4S |
| Molecular Weight | 275.06274 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.06274 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CC(C(=O)OC)N(C1=CC=C(C=C1)F)S(=O)(=O)C |
| InChIKey | XFTMMHUKJZMTDH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate
Property Insights of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate. Following Lipinski's Rule of Five, Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate has 0 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 Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate?
The CAS number of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate is 1008235-58-2.
What is the molecular formula of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate?
The molecular formula of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate is C11H14FNO4S.
What is the molecular weight of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate?
The molecular weight of Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate is 275.06274 g/mol.
Where can I buy Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate?
You can request a quote for Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate?
Yes, CoreyChem provides custom synthesis services for Methyl N-(4-fluorophenyl)-N-(methylsulfonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.