F1218-0354
TL;DR: F1218-0354 (CAS 882223-38-3) is a chemical compound with molecular formula C18H16BrN3O4 and molecular weight 417.0324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(3-bromophenyl)-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid
Also Known As: F1218-0354, 3-[3-(3-bromophenyl)-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid, (Z)-3-(3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-1H-pyrazol-1-yl)propanoic acid, 3-[3-(3-bromophenyl)-4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid
Technical Specifications
| Molecular Formula | C18H16BrN3O4 |
| Molecular Weight | 417.0324 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.0324 Da |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
| SMILES | CCOC(=O)/C(=C\C1=CN(N=C1C2=CC(=CC=C2)Br)CCC(=O)O)/C#N |
| InChIKey | AWGFHIUSEVIVOF-JYRVWZFOSA-N |
Chemical Property Profile of F1218-0354
Property Insights of F1218-0354
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1218-0354. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F1218-0354. Following Lipinski's Rule of Five, F1218-0354 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 F1218-0354?
The CAS number of F1218-0354 is 882223-38-3.
What is the molecular formula of F1218-0354?
The molecular formula of F1218-0354 is C18H16BrN3O4.
What is the molecular weight of F1218-0354?
The molecular weight of F1218-0354 is 417.0324 g/mol.
Where can I buy F1218-0354?
You can request a quote for F1218-0354 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1218-0354?
Yes, CoreyChem provides custom synthesis services for F1218-0354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.