柠檬酰甲酸-γ-内酯
TL;DR: 柠檬酰甲酸-γ-内酯 (CAS 7776-21-8) is a chemical compound with molecular formula C7H6O7 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酰甲酸-γ-内酯
carboxy 2-[(2S)-4-hydroxy-5-oxo-2H-furan-2-yl]acetate
Also Known As: Citroylformic acid-gamma-lactone, KST-1A8194, [(2s)-4-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetyl hydrogen carbonate, 1-Keto-2,4-dihydroxy-4-carboxyadipenoic acid (2,3)-1,4-lactone, 2-Furanacetic acid, 2-carboxy-2,5-dihydro-4-hydroxy-5-oxo-, (S)-
| Molecular Formula | C7H6O7 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.01135 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 7776-21-8 |
|---|---|
| SMILES | C1=C(C(=O)O[C@H]1CC(=O)OC(=O)O)O |
| InChIKey | WAEYLBYMNVAENL-GSVOUGTGSA-N |
Product Overview
柠檬酰甲酸-γ-内酯 (CAS 7776-21-8), with molecular formula C7H6O7 and molecular weight 202.01 g/mol. IUPAC: carboxy 2-[(2S)-4-hydroxy-5-oxo-2H-furan-2-yl]acetate.
Chemical Property Profile of 柠檬酰甲酸-γ-内酯
Property Insights of 柠檬酰甲酸-γ-内酯
The XLogP value of -0.2 indicates that 柠檬酰甲酸-γ-内酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 柠檬酰甲酸-γ-内酯. Following Lipinski's Rule of Five, 柠檬酰甲酸-γ-内酯 has 2 hydrogen bond donor(s) and 7 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 柠檬酰甲酸-γ-内酯?
The CAS number of 柠檬酰甲酸-γ-内酯 is 7776-21-8.
What is the molecular formula of 柠檬酰甲酸-γ-内酯?
The molecular formula of 柠檬酰甲酸-γ-内酯 is C7H6O7.
What is the molecular weight of 柠檬酰甲酸-γ-内酯?
The molecular weight of 柠檬酰甲酸-γ-内酯 is 202.01 g/mol.
Where can I buy 柠檬酰甲酸-γ-内酯?
You can request a quote for 柠檬酰甲酸-γ-内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酰甲酸-γ-内酯?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酰甲酸-γ-内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.