5-Propanoyl-1,3-benzodioxole
TL;DR: 5-Propanoyl-1,3-benzodioxole (CAS 28281-49-4) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)propan-1-one
Also Known As: 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one, 1-(1,3-Benzodioxol-5-yl)-1-propanone, 3',4'-(Methylenedioxy)propiophenone, 3,4-Methylenedioxypropiophenone, 1-(1,3-Benzodioxol-5-yl)propan-1-one
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 28281-49-4 |
|---|---|
| SMILES | CCC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | RVBJGSPBFIUTTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Propanoyl-1,3-benzodioxole (CAS 28281-49-4), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)propan-1-one.
Chemical Property Profile of 5-Propanoyl-1,3-benzodioxole
Property Insights of 5-Propanoyl-1,3-benzodioxole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Propanoyl-1,3-benzodioxole. With a topological polar surface area (TPSA) of 35.5 Ų, 5-Propanoyl-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Propanoyl-1,3-benzodioxole 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 5-Propanoyl-1,3-benzodioxole?
The CAS number of 5-Propanoyl-1,3-benzodioxole is 28281-49-4.
What is the molecular formula of 5-Propanoyl-1,3-benzodioxole?
The molecular formula of 5-Propanoyl-1,3-benzodioxole is C10H10O3.
What is the molecular weight of 5-Propanoyl-1,3-benzodioxole?
The molecular weight of 5-Propanoyl-1,3-benzodioxole is 178.06 g/mol.
Where can I buy 5-Propanoyl-1,3-benzodioxole?
You can request a quote for 5-Propanoyl-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Propanoyl-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Propanoyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.