5-(3-Methyloxiran-2-yl)-1,3-benzodioxole
TL;DR: 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole (CAS 7154-69-0) 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.
5-(3-methyloxiran-2-yl)-1,3-benzodioxole
Also Known As: Isosafroloxid, Isosafroloxyd, isosafrole oxide, Isosafrole ozonide, 5-(3-methyloxiran-2-yl)-1,3-benzodioxole
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 7154-69-0 |
|---|---|
| SMILES | CC1C(O1)C2=CC3=C(C=C2)OCO3 |
| InChIKey | PRWGVTRVRYDTQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Methyloxiran-2-yl)-1,3-benzodioxole (CAS 7154-69-0), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 5-(3-methyloxiran-2-yl)-1,3-benzodioxole.
Chemical Property Profile of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole
Property Insights of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 31.0 Ų, 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Methyloxiran-2-yl)-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-(3-Methyloxiran-2-yl)-1,3-benzodioxole?
The CAS number of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole is 7154-69-0.
What is the molecular formula of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole?
The molecular formula of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole is C10H10O3.
What is the molecular weight of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole?
The molecular weight of 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole is 178.06 g/mol.
Where can I buy 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole?
You can request a quote for 5-(3-Methyloxiran-2-yl)-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-(3-Methyloxiran-2-yl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methyloxiran-2-yl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.