3-(1,3-dioxolan-2-yl)-4H-chromen-4-one
TL;DR: 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one (CAS 17422-79-6) 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.
3-(1,3-dioxolan-2-yl)chromen-4-one
Also Known As: 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one, 3-(1,3-Dioxolan-2-yl)chromone, 3-(1,3-dioxolan-2-yl)chromen-4-one, 4H-1-Benzopyran-4-one, 3-(1,3-dioxolan-2-yl)-, 3-(1,3-Dioxolan-2-yl)-4H-1-benzopyran-4-one
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.8384 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 566.4856 |
Chemical Identifiers
| CAS Number | 17422-79-6 |
|---|---|
| SMILES | C1COC(O1)C2=COC3=CC=CC=C3C2=O |
Product Overview
3-(1,3-dioxolan-2-yl)-4H-chromen-4-one (CAS 17422-79-6), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 3-(1,3-dioxolan-2-yl)chromen-4-one.
Chemical Property Profile of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one
Property Insights of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one
The XLogP value of 1.8384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one. With a topological polar surface area (TPSA) of 48.67 Ų, 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-dioxolan-2-yl)-4H-chromen-4-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 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one?
The CAS number of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one is 17422-79-6.
What is the molecular formula of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one?
The molecular formula of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one is C12H10O4.
What is the molecular weight of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one?
The molecular weight of 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one is 218.06 g/mol.
Where can I buy 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one?
You can request a quote for 3-(1,3-dioxolan-2-yl)-4H-chromen-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-(1,3-dioxolan-2-yl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.