1'-Hydroxysafrole-2',3'-oxide
TL;DR: 1'-Hydroxysafrole-2',3'-oxide (CAS 59901-91-6) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl(oxiran-2-yl)methanol
Also Known As: 1'-Hydroxysafrole-2',3'-oxide, 1'-Hydroxysafrole-2',3'-epoxide, 1 -Hydroxysafrole-2 ,3 -oxide, alpha-Oxiranyl-1,3-benzodioxole-5-methanol, 1,3-benzodioxol-5-yl(oxiran-2-yl)methanol
Technical Specifications
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.0579 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | C1C(O1)C(C2=CC3=C(C=C2)OCO3)O |
| InChIKey | XEOWEKPMJACSSM-UHFFFAOYSA-N |
Chemical Property Profile of 1'-Hydroxysafrole-2',3'-oxide
Property Insights of 1'-Hydroxysafrole-2',3'-oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-Hydroxysafrole-2',3'-oxide. With a topological polar surface area (TPSA) of 51.2 Ų, 1'-Hydroxysafrole-2',3'-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Hydroxysafrole-2',3'-oxide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1'-Hydroxysafrole-2',3'-oxide?
The CAS number of 1'-Hydroxysafrole-2',3'-oxide is 59901-91-6.
What is the molecular formula of 1'-Hydroxysafrole-2',3'-oxide?
The molecular formula of 1'-Hydroxysafrole-2',3'-oxide is C10H10O4.
What is the molecular weight of 1'-Hydroxysafrole-2',3'-oxide?
The molecular weight of 1'-Hydroxysafrole-2',3'-oxide is 194.0579 g/mol.
Where can I buy 1'-Hydroxysafrole-2',3'-oxide?
You can request a quote for 1'-Hydroxysafrole-2',3'-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1'-Hydroxysafrole-2',3'-oxide?
Yes, CoreyChem provides custom synthesis services for 1'-Hydroxysafrole-2',3'-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.