Safrole oxide
TL;DR: Safrole oxide (CAS 7470-44-2) 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-(oxiran-2-ylmethyl)-1,3-benzodioxole
Also Known As: Safrole oxide, Safrole epoxide, 2',3'-Epoxysafrole, safroleoxide, safrole 2',3'-oxide
| 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 | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 7470-44-2 |
|---|---|
| SMILES | C1C(O1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | KZYXVVGEWCXONF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Safrole oxide (CAS 7470-44-2), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 5-(oxiran-2-ylmethyl)-1,3-benzodioxole.
Chemical Property Profile of Safrole oxide
Property Insights of Safrole oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Safrole oxide. With a topological polar surface area (TPSA) of 31.0 Ų, Safrole oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Safrole oxide 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 Safrole oxide?
The CAS number of Safrole oxide is 7470-44-2.
What is the molecular formula of Safrole oxide?
The molecular formula of Safrole oxide is C10H10O3.
What is the molecular weight of Safrole oxide?
The molecular weight of Safrole oxide is 178.06 g/mol.
Where can I buy Safrole oxide?
You can request a quote for Safrole oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Safrole oxide?
Yes, KEHONG BIO provides custom synthesis services for Safrole oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.