Toddaculin
TL;DR: Toddaculin (CAS 4335-12-0) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Toddaculin, Toddaculine, starbld0003785, 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one, 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.3189 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 706.22406 |
Chemical Identifiers
| CAS Number | 4335-12-0 |
|---|---|
| SMILES | CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C |
Product Overview
Toddaculin (CAS 4335-12-0), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Toddaculin
Property Insights of Toddaculin
The XLogP value of 3.3189 indicates that Toddaculin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, Toddaculin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toddaculin 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 Toddaculin?
The CAS number of Toddaculin is 4335-12-0.
What is the molecular formula of Toddaculin?
The molecular formula of Toddaculin is C16H18O4.
What is the molecular weight of Toddaculin?
The molecular weight of Toddaculin is 274.12 g/mol.
Where can I buy Toddaculin?
You can request a quote for Toddaculin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toddaculin?
Yes, KEHONG BIO provides custom synthesis services for Toddaculin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.