1,3-Benzodioxol-5-yloxiranylmethanone
TL;DR: 1,3-Benzodioxol-5-yloxiranylmethanone (CAS 59901-89-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(oxiran-2-yl)methanone
Also Known As: 1'-Oxosafrole 2',3'-oxide, 1'-Oxosafrole-2',3'-oxide, 1,3-Benzodioxol-5-yloxiranylmethanone, 1,3-Benzodioxole, 5-(oxiranylcarbonyl)-, 1,3-Benzodioxole, 5-(2,3-epoxypropionyl)-
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 59901-89-2 |
|---|---|
| SMILES | C1C(O1)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | LUXHBZJUOYPKHY-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-yloxiranylmethanone (CAS 59901-89-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 1,3-benzodioxol-5-yl(oxiran-2-yl)methanone.
Chemical Property Profile of 1,3-Benzodioxol-5-yloxiranylmethanone
Property Insights of 1,3-Benzodioxol-5-yloxiranylmethanone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yloxiranylmethanone. With a topological polar surface area (TPSA) of 48.1 Ų, 1,3-Benzodioxol-5-yloxiranylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yloxiranylmethanone has 0 hydrogen bond donor(s) and 4 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-yloxiranylmethanone?
The CAS number of 1,3-Benzodioxol-5-yloxiranylmethanone is 59901-89-2.
What is the molecular formula of 1,3-Benzodioxol-5-yloxiranylmethanone?
The molecular formula of 1,3-Benzodioxol-5-yloxiranylmethanone is C10H8O4.
What is the molecular weight of 1,3-Benzodioxol-5-yloxiranylmethanone?
The molecular weight of 1,3-Benzodioxol-5-yloxiranylmethanone is 192.04 g/mol.
Where can I buy 1,3-Benzodioxol-5-yloxiranylmethanone?
You can request a quote for 1,3-Benzodioxol-5-yloxiranylmethanone 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-yloxiranylmethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yloxiranylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.