脱氢乙酸钠
TL;DR: 脱氢乙酸钠 (CAS 4418-26-2) is a chemical compound with molecular formula C8H8NaO4+ and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氢乙酸钠
sodium 3-acetyl-6-methylpyran-2,4-dione
Also Known As: DEHYDROACETICACIDSODIUMSALT, Sodium 3-acetyl-6-methyl-pyran-2,4-dione
| Molecular Formula | C8H8NaO4+ |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | -2.7747 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.03203 |
| Heavy Atoms | 13 |
| Complexity | 292.51917 |
Chemical Identifiers
| CAS Number | 4418-26-2 |
|---|---|
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C.[Na+] |
Product Overview
脱氢乙酸钠 (CAS 4418-26-2), with molecular formula C8H8NaO4+ and molecular weight 191.03 g/mol. IUPAC: sodium 3-acetyl-6-methylpyran-2,4-dione.
Chemical Property Profile of 脱氢乙酸钠
Property Insights of 脱氢乙酸钠
The XLogP value of -2.7747 indicates that 脱氢乙酸钠 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 脱氢乙酸钠. Following Lipinski's Rule of Five, 脱氢乙酸钠 has 0 hydrogen bond donor(s) and 4 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 脱氢乙酸钠?
The CAS number of 脱氢乙酸钠 is 4418-26-2.
What is the molecular formula of 脱氢乙酸钠?
The molecular formula of 脱氢乙酸钠 is C8H8NaO4+.
What is the molecular weight of 脱氢乙酸钠?
The molecular weight of 脱氢乙酸钠 is 191.03 g/mol.
Where can I buy 脱氢乙酸钠?
You can request a quote for 脱氢乙酸钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氢乙酸钠?
Yes, KEHONG BIO provides custom synthesis services for 脱氢乙酸钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.