1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one
TL;DR: 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one (CAS 40288-65-1) is a chemical compound with molecular formula C9H7BrO3 and molecular weight 241.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-bromoethanone
Also Known As: 1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one, 1-(1,3-benzodioxol-5-yl)-2-bromoethanone, 5-(Bromoacetyl)-1,3-benzodioxolane, 5-(Bromoacetyl)-1,3-benzodioxole, BUTTPARK 98\04-01
| Molecular Formula | C9H7BrO3 |
|---|---|
| Molecular Weight | 241.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.95786 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 40288-65-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CBr |
| InChIKey | QBXCVQVFPVXAGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one (CAS 40288-65-1), with molecular formula C9H7BrO3 and molecular weight 241.96 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone.
Chemical Property Profile of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one
Property Insights of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-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 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one?
The CAS number of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one is 40288-65-1.
What is the molecular formula of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one?
The molecular formula of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one is C9H7BrO3.
What is the molecular weight of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one?
The molecular weight of 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one is 241.96 g/mol.
Where can I buy 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one?
You can request a quote for 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.