S7Gnc8TS3A
TL;DR: S7Gnc8TS3A (CAS 737690-98-1) is a chemical compound with molecular formula C12H16FNO2 and molecular weight 225.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[3-(2-fluoroethylamino)phenyl]propanoate
Also Known As: Methyl 3-[(2-fluoroethyl)amino]benzenepropanoate, methyl 3-[3-(2-fluoroethylamino)phenyl]propanoate, Benzenepropanoic acid, 3-[(2-fluoroethyl)amino]-, methyl ester
Technical Specifications
| Molecular Formula | C12H16FNO2 |
| Molecular Weight | 225.1165 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 225.1165 Da |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
| SMILES | COC(=O)CCC1=CC(=CC=C1)NCCF |
| InChIKey | ZZLUNCQRUALNFR-UHFFFAOYSA-N |
Chemical Property Profile of S7Gnc8TS3A
Property Insights of S7Gnc8TS3A
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S7Gnc8TS3A. With a topological polar surface area (TPSA) of 38.3 Ų, S7Gnc8TS3A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S7Gnc8TS3A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S7Gnc8TS3A?
The CAS number of S7Gnc8TS3A is 737690-98-1.
What is the molecular formula of S7Gnc8TS3A?
The molecular formula of S7Gnc8TS3A is C12H16FNO2.
What is the molecular weight of S7Gnc8TS3A?
The molecular weight of S7Gnc8TS3A is 225.1165 g/mol.
Where can I buy S7Gnc8TS3A?
You can request a quote for S7Gnc8TS3A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S7Gnc8TS3A?
Yes, CoreyChem provides custom synthesis services for S7Gnc8TS3A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.