2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
TL;DR: 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one (CAS 879045-01-9) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 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)propan-1-one
Also Known As: 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one, 2-Chloro-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propan-1-one, ASN 14135251, 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanone, 1-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-chloropropan-1-one
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.2678 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 387.41946 |
Chemical Identifiers
| CAS Number | 879045-01-9 |
|---|---|
| SMILES | CC(C(=O)C1=CC2=C(C=C1)OCCO2)Cl |
Product Overview
2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one (CAS 879045-01-9), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one.
Chemical Property Profile of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
Property Insights of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
The XLogP value of 2.2678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-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 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one?
The CAS number of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one is 879045-01-9.
What is the molecular formula of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one?
The molecular formula of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one is C11H11ClO3.
What is the molecular weight of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one?
The molecular weight of 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one is 226.04 g/mol.
Where can I buy 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one?
You can request a quote for 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.