![2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one structure](/static/products/136/136498-45-8.webp)
2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one
TL;DR: 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one (CAS 136498-45-8) is a chemical compound with molecular formula C17H13ClO4 and molecular weight 316.05023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-2,3-dihydrochromen-4-one
Also Known As: 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one, 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-2,3-dihydrochromen-4-one, 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-2,3-dihydro-4H-chromen-4-one
Technical Specifications
| Molecular Formula | C17H13ClO4 |
| Molecular Weight | 316.05023 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.05023 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC4=C3OCOC4)Cl |
| InChIKey | ATMAPKQGVIOYHY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one
Property Insights of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one
The XLogP value of 3.0 indicates that 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-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
What is the CAS number of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one?
The CAS number of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one is 136498-45-8.
What is the molecular formula of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one?
The molecular formula of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one is C17H13ClO4.
What is the molecular weight of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one?
The molecular weight of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one is 316.05023 g/mol.
Where can I buy 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one?
You can request a quote for 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)chroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.