Nothoapiole
TL;DR: Nothoapiole (CAS 26072-19-5) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,7-trimethoxy-6-prop-2-enyl-1,3-benzodioxole
Also Known As: nothoapiole, Radiatinin, Nothoapiol, 4,5,7-trimethoxy-6-prop-2-enyl-1,3-benzodioxole, 1,3-Benzodioxole, 4,5,7-trimethoxy-6-(2-propenyl)-
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 26072-19-5 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1OCO2)OC)OC)CC=C |
| InChIKey | IWGPXDGGZYMDJF-UHFFFAOYSA-N |
Product Overview
Nothoapiole (CAS 26072-19-5), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: 4,5,7-trimethoxy-6-prop-2-enyl-1,3-benzodioxole.
Chemical Property Profile of Nothoapiole
Property Insights of Nothoapiole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nothoapiole. With a topological polar surface area (TPSA) of 46.2 Ų, Nothoapiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nothoapiole has 0 hydrogen bond donor(s) and 5 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 Nothoapiole?
The CAS number of Nothoapiole is 26072-19-5.
What is the molecular formula of Nothoapiole?
The molecular formula of Nothoapiole is C13H16O5.
What is the molecular weight of Nothoapiole?
The molecular weight of Nothoapiole is 252.10 g/mol.
Where can I buy Nothoapiole?
You can request a quote for Nothoapiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nothoapiole?
Yes, KEHONG BIO provides custom synthesis services for Nothoapiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.