CID 112101
TL;DR: CID 112101 (CAS 94728-76-4) is a chemical compound with molecular formula C6H5FO4 and molecular weight 160.01718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluorohexa-2,4-dienedioic acid
Also Known As: 2,4-Hexadienedioicacid, 2-fluoro-, 2,4-Hexadienedioic acid, 2-fluoro-, (E,Z)-
Technical Specifications
| Molecular Formula | C6H5FO4 |
| Molecular Weight | 160.01718 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.01718 Da |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
| SMILES | C(=CC(=O)O)C=C(C(=O)O)F |
| InChIKey | PTYIDKBTGREHJW-UHFFFAOYSA-N |
Chemical Property Profile of CID 112101
Property Insights of CID 112101
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 112101. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 112101. Following Lipinski's Rule of Five, CID 112101 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CID 112101?
The CAS number of CID 112101 is 94728-76-4.
What is the molecular formula of CID 112101?
The molecular formula of CID 112101 is C6H5FO4.
What is the molecular weight of CID 112101?
The molecular weight of CID 112101 is 160.01718 g/mol.
Where can I buy CID 112101?
You can request a quote for CID 112101 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 112101?
Yes, CoreyChem provides custom synthesis services for CID 112101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.