6-acetyl-7-methoxy-2H-chromen-2-one
TL;DR: 6-acetyl-7-methoxy-2H-chromen-2-one (CAS 16850-94-5) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-7-methoxychromen-2-one
Also Known As: 6-acyl-7-methoxycoumarin, 6-acetyl-7-methoxychromen-2-one, 6-Acetyl-7-methoxycoumarin, 6-acetyl-7-methoxy-2H-chromen-2-one, Coumarin, 6-acetyl-7-methoxy-
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.0042 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 609.9351 |
Chemical Identifiers
| CAS Number | 16850-94-5 |
|---|---|
| SMILES | CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
Product Overview
6-acetyl-7-methoxy-2H-chromen-2-one (CAS 16850-94-5), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 6-acetyl-7-methoxychromen-2-one.
Chemical Property Profile of 6-acetyl-7-methoxy-2H-chromen-2-one
Property Insights of 6-acetyl-7-methoxy-2H-chromen-2-one
The XLogP value of 2.0042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-acetyl-7-methoxy-2H-chromen-2-one. With a topological polar surface area (TPSA) of 56.51 Ų, 6-acetyl-7-methoxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-acetyl-7-methoxy-2H-chromen-2-one 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 6-acetyl-7-methoxy-2H-chromen-2-one?
The CAS number of 6-acetyl-7-methoxy-2H-chromen-2-one is 16850-94-5.
What is the molecular formula of 6-acetyl-7-methoxy-2H-chromen-2-one?
The molecular formula of 6-acetyl-7-methoxy-2H-chromen-2-one is C12H10O4.
What is the molecular weight of 6-acetyl-7-methoxy-2H-chromen-2-one?
The molecular weight of 6-acetyl-7-methoxy-2H-chromen-2-one is 218.06 g/mol.
Where can I buy 6-acetyl-7-methoxy-2H-chromen-2-one?
You can request a quote for 6-acetyl-7-methoxy-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-acetyl-7-methoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-acetyl-7-methoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.