4-methyl-7-sodiooxy-2H-1-benzopyran-2-one
TL;DR: 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one (CAS 5980-33-6) is a chemical compound with molecular formula C10H7NaO3 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-methyl-2-oxochromen-7-olate
Also Known As: Cantabiline sodium, 4-Methylumbelliferone sodium salt, Hymecromone sodium, Hymecromone, LM 94 sodium
| Molecular Formula | C10H7NaO3 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | -1.82098 |
| Topological Polar Surface Area | 53.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02928 |
| Heavy Atoms | 14 |
| Complexity | 516.2463 |
Chemical Identifiers
| CAS Number | 5980-33-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)[O-].[Na+] |
Product Overview
4-methyl-7-sodiooxy-2H-1-benzopyran-2-one (CAS 5980-33-6), with molecular formula C10H7NaO3 and molecular weight 198.03 g/mol. IUPAC: sodium 4-methyl-2-oxochromen-7-olate.
Chemical Property Profile of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one
Property Insights of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one
The XLogP value of -1.82098 indicates that 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.27 Ų, 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 3 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 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one?
The CAS number of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one is 5980-33-6.
What is the molecular formula of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one?
The molecular formula of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one is C10H7NaO3.
What is the molecular weight of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one?
The molecular weight of 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one is 198.03 g/mol.
Where can I buy 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one?
You can request a quote for 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-7-sodiooxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.