1-Fluorohomocitrate
TL;DR: 1-Fluorohomocitrate (CAS 131736-83-9) is a chemical compound with molecular formula C7H9FO7 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-hydroxybutane-1,2,4-tricarboxylic acid
Also Known As: 1-Fluorohomocitrate, 1-fluoro-2-hydroxybutane-1,2,4-tricarboxylic acid, 1,2,4-Butanetricarboxylicacid, 1-fluoro-2-hydroxy-, 1,2,4-Butanetricarboxylicacid,1-fluoro-2-hydroxy, 1,2,4-Butanetricarboxylic acid, 1-fluoro-2-hydroxy-
| Molecular Formula | C7H9FO7 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.03323 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 131736-83-9 |
|---|---|
| SMILES | C(CC(C(C(=O)O)F)(C(=O)O)O)C(=O)O |
| InChIKey | ZYUGDRJFHNPCOY-UHFFFAOYSA-N |
Product Overview
1-Fluorohomocitrate (CAS 131736-83-9), with molecular formula C7H9FO7 and molecular weight 224.03 g/mol. IUPAC: 1-fluoro-2-hydroxybutane-1,2,4-tricarboxylic acid.
Chemical Property Profile of 1-Fluorohomocitrate
Property Insights of 1-Fluorohomocitrate
The XLogP value of -1.2 indicates that 1-Fluorohomocitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluorohomocitrate. Following Lipinski's Rule of Five, 1-Fluorohomocitrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Fluorohomocitrate?
The CAS number of 1-Fluorohomocitrate is 131736-83-9.
What is the molecular formula of 1-Fluorohomocitrate?
The molecular formula of 1-Fluorohomocitrate is C7H9FO7.
What is the molecular weight of 1-Fluorohomocitrate?
The molecular weight of 1-Fluorohomocitrate is 224.03 g/mol.
Where can I buy 1-Fluorohomocitrate?
You can request a quote for 1-Fluorohomocitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluorohomocitrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluorohomocitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.