Demethylsuberosin
TL;DR: Demethylsuberosin (CAS 21422-04-8) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Demethylsuberosin, 7-Demethylsuberosin, demethylsuberosine, 7-demethylsuberosine, O-demethylsuberosin
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.0073 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 631.44763 |
Chemical Identifiers
| CAS Number | 21422-04-8 |
|---|---|
| SMILES | CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C |
Product Overview
Demethylsuberosin (CAS 21422-04-8), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Demethylsuberosin
Property Insights of Demethylsuberosin
The XLogP value of 3.0073 indicates that Demethylsuberosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, Demethylsuberosin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethylsuberosin has 1 hydrogen bond donor(s) and 3 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 Demethylsuberosin?
The CAS number of Demethylsuberosin is 21422-04-8.
What is the molecular formula of Demethylsuberosin?
The molecular formula of Demethylsuberosin is C14H14O3.
What is the molecular weight of Demethylsuberosin?
The molecular weight of Demethylsuberosin is 230.09 g/mol.
Where can I buy Demethylsuberosin?
You can request a quote for Demethylsuberosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylsuberosin?
Yes, KEHONG BIO provides custom synthesis services for Demethylsuberosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.