1,3-Benzodioxol-5-yl(phenyl)methanone
TL;DR: 1,3-Benzodioxol-5-yl(phenyl)methanone (CAS 54225-86-4) is a chemical compound with molecular formula C14H10O3 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(phenyl)methanone
Also Known As: 1,3-Benzodioxol-5-yl(phenyl)methanone, 5-benzoyl-2H-1,3-benzodioxole, 6-Benzoyl-1,3-dioxolane, 5-benzoyl-1,3-benzodioxole, 2-BROMOTRIDECANOICACID
| Molecular Formula | C14H10O3 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.06299 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 54225-86-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | PXAFOQOPSOGIFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxol-5-yl(phenyl)methanone (CAS 54225-86-4), with molecular formula C14H10O3 and molecular weight 226.06 g/mol. IUPAC: 1,3-benzodioxol-5-yl(phenyl)methanone.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(phenyl)methanone
Property Insights of 1,3-Benzodioxol-5-yl(phenyl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl(phenyl)methanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3-Benzodioxol-5-yl(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(phenyl)methanone 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 1,3-Benzodioxol-5-yl(phenyl)methanone?
The CAS number of 1,3-Benzodioxol-5-yl(phenyl)methanone is 54225-86-4.
What is the molecular formula of 1,3-Benzodioxol-5-yl(phenyl)methanone?
The molecular formula of 1,3-Benzodioxol-5-yl(phenyl)methanone is C14H10O3.
What is the molecular weight of 1,3-Benzodioxol-5-yl(phenyl)methanone?
The molecular weight of 1,3-Benzodioxol-5-yl(phenyl)methanone is 226.06 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(phenyl)methanone?
You can request a quote for 1,3-Benzodioxol-5-yl(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.