Notoptol
TL;DR: Notoptol (CAS 88206-49-9) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one
Also Known As: Notoptol, HY-N11904, J1.900.755C, 5-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy)psoralen, 4-[[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.5815 |
| Topological Polar Surface Area | 72.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 1027.9031 |
Chemical Identifiers
| CAS Number | 88206-49-9 |
|---|---|
| SMILES | C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C/C=C/C(C)(C)O |
Product Overview
Notoptol (CAS 88206-49-9), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one.
Chemical Property Profile of Notoptol
Property Insights of Notoptol
The XLogP value of 4.5815 indicates that Notoptol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Notoptol. Following Lipinski's Rule of Five, Notoptol has 1 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 Notoptol?
The CAS number of Notoptol is 88206-49-9.
What is the molecular formula of Notoptol?
The molecular formula of Notoptol is C21H22O5.
What is the molecular weight of Notoptol?
The molecular weight of Notoptol is 354.15 g/mol.
Where can I buy Notoptol?
You can request a quote for Notoptol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Notoptol?
Yes, KEHONG BIO provides custom synthesis services for Notoptol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.