6-Chloroacetyl-1,4-benzodioxane
TL;DR: 6-Chloroacetyl-1,4-benzodioxane (CAS 93439-37-3) 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.
2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: 6-Chloroacetyl-1,4-benzodioxane, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, 3613AF, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one, 6-Chloroacetyl-1,4-benzodioxane, 97%
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 1.8793 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 362.3848 |
Chemical Identifiers
| CAS Number | 93439-37-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CCl |
Product Overview
6-Chloroacetyl-1,4-benzodioxane (CAS 93439-37-3), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of 6-Chloroacetyl-1,4-benzodioxane
Property Insights of 6-Chloroacetyl-1,4-benzodioxane
The XLogP value of 1.8793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloroacetyl-1,4-benzodioxane. With a topological polar surface area (TPSA) of 35.53 Ų, 6-Chloroacetyl-1,4-benzodioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloroacetyl-1,4-benzodioxane 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 6-Chloroacetyl-1,4-benzodioxane?
The CAS number of 6-Chloroacetyl-1,4-benzodioxane is 93439-37-3.
What is the molecular formula of 6-Chloroacetyl-1,4-benzodioxane?
The molecular formula of 6-Chloroacetyl-1,4-benzodioxane is C10H9ClO3.
What is the molecular weight of 6-Chloroacetyl-1,4-benzodioxane?
The molecular weight of 6-Chloroacetyl-1,4-benzodioxane is 212.02 g/mol.
Where can I buy 6-Chloroacetyl-1,4-benzodioxane?
You can request a quote for 6-Chloroacetyl-1,4-benzodioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloroacetyl-1,4-benzodioxane?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloroacetyl-1,4-benzodioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.