methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
TL;DR: methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 853749-60-7) is a chemical compound with molecular formula C13H12O6 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
Also Known As: methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate, Methyl 2-(6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate, methyl 2-(6,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate, 2H-1-benzopyran-3-acetic acid, 6,7-dihydroxy-4-methyl-2-oxo-, methyl ester, methyl 2-(6,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetate
| Molecular Formula | C13H12O6 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.22812 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0634 |
| Heavy Atoms | 19 |
| Complexity | 713.12573 |
Chemical Identifiers
| CAS Number | 853749-60-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)O)O)CC(=O)OC |
Product Overview
methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 853749-60-7), with molecular formula C13H12O6 and molecular weight 264.06 g/mol. IUPAC: methyl 2-(6,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate.
Chemical Property Profile of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
Property Insights of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
The XLogP value of 1.22812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate. Following Lipinski's Rule of Five, methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate has 2 hydrogen bond donor(s) and 6 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 methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The CAS number of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 853749-60-7.
What is the molecular formula of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular formula of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is C13H12O6.
What is the molecular weight of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular weight of methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 264.06 g/mol.
Where can I buy methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
You can request a quote for methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.