Suberosin epoxide
TL;DR: Suberosin epoxide (CAS 80368-68-9) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one
Also Known As: Suberosin epoxide, (+)-Epoxysuberosin, 2H-1-Benzopyran-2-one, 6-[(3,3-dimethyloxiranyl)methyl]-7-methoxy-, 6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one, 6-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxycoumarin
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 80368-68-9 |
|---|---|
| SMILES | CC1(C(O1)CC2=C(C=C3C(=C2)C=CC(=O)O3)OC)C |
| InChIKey | JZRVCRZHZQXYDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Suberosin epoxide (CAS 80368-68-9), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one.
Chemical Property Profile of Suberosin epoxide
Property Insights of Suberosin epoxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suberosin epoxide. With a topological polar surface area (TPSA) of 48.1 Ų, Suberosin epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Suberosin epoxide 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 Suberosin epoxide?
The CAS number of Suberosin epoxide is 80368-68-9.
What is the molecular formula of Suberosin epoxide?
The molecular formula of Suberosin epoxide is C15H16O4.
What is the molecular weight of Suberosin epoxide?
The molecular weight of Suberosin epoxide is 260.10 g/mol.
Where can I buy Suberosin epoxide?
You can request a quote for Suberosin epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Suberosin epoxide?
Yes, KEHONG BIO provides custom synthesis services for Suberosin epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.