Aegelinol
TL;DR: Aegelinol (CAS 5993-18-0) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Also Known As: Aegelinol, Decursinol, (-)-, (-)-Decursinol, Decursinol, (-)-Smyrinol
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 1.8674 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 669.0386 |
Chemical Identifiers
| CAS Number | 5993-18-0 |
|---|---|
| SMILES | CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C |
Product Overview
Aegelinol (CAS 5993-18-0), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: (3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one.
Chemical Property Profile of Aegelinol
Property Insights of Aegelinol
The XLogP value of 1.8674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aegelinol. With a topological polar surface area (TPSA) of 59.67 Ų, Aegelinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aegelinol has 1 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 Aegelinol?
The CAS number of Aegelinol is 5993-18-0.
What is the molecular formula of Aegelinol?
The molecular formula of Aegelinol is C14H14O4.
What is the molecular weight of Aegelinol?
The molecular weight of Aegelinol is 246.09 g/mol.
Where can I buy Aegelinol?
You can request a quote for Aegelinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aegelinol?
Yes, KEHONG BIO provides custom synthesis services for Aegelinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.