3-Acetyl-6-methyl-2,3-dihydrochromen-4-one
TL;DR: 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one (CAS 54013-44-4) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-6-methyl-2,3-dihydrochromen-4-one
Also Known As: Maybridge1_001998, 3-acetyl-6-methylchroman-4-one, 3-acetyl-6-methyl-2,3-dihydrochromen-4-one, BTB 10145, 4H-1-Benzopyran-4-one, 3-acetyl-2,3-dihydro-6-methyl-
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.77532 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 434.4934 |
Chemical Identifiers
| CAS Number | 54013-44-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(C2=O)C(=O)C |
Product Overview
3-Acetyl-6-methyl-2,3-dihydrochromen-4-one (CAS 54013-44-4), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-acetyl-6-methyl-2,3-dihydrochromen-4-one.
Chemical Property Profile of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one
Property Insights of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one
The XLogP value of 1.77532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-6-methyl-2,3-dihydrochromen-4-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 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one?
The CAS number of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one is 54013-44-4.
What is the molecular formula of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one?
The molecular formula of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one is C12H12O3.
What is the molecular weight of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one?
The molecular weight of 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one is 204.08 g/mol.
Where can I buy 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one?
You can request a quote for 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6-methyl-2,3-dihydrochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.