1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
TL;DR: 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CAS 69464-37-5) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
Also Known As: 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, 6-acetyl-7-chloro-2H,3H-benzo[e]1,4-dioxin, 6-acetyl-7-chloro-2H,3H-benzo[e]1,4-dioxane, 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone, 1-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.3138 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 387.19867 |
Chemical Identifiers
| CAS Number | 69464-37-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1Cl)OCCO2 |
Product Overview
1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CAS 69464-37-5), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone.
Chemical Property Profile of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Property Insights of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
The XLogP value of 2.3138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone. With a topological polar surface area (TPSA) of 35.53 Ų, 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone 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 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The CAS number of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is 69464-37-5.
What is the molecular formula of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The molecular formula of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is C10H9ClO3.
What is the molecular weight of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The molecular weight of 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is 212.02 g/mol.
Where can I buy 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
You can request a quote for 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.