Angoletin
TL;DR: Angoletin (CAS 80484-55-5) is a chemical compound with molecular formula C18H20O4 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
Also Known As: Angoletin, ON-III compound, MEGxp0_001393, ACon1_001290, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
| Molecular Formula | C18H20O4 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.13617 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 80484-55-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O |
| InChIKey | HBRYKWADRULLHU-UHFFFAOYSA-N |
Product Overview
Angoletin (CAS 80484-55-5), with molecular formula C18H20O4 and molecular weight 300.14 g/mol. IUPAC: 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one.
Chemical Property Profile of Angoletin
Property Insights of Angoletin
The XLogP value of 4.0 indicates that Angoletin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Angoletin. Following Lipinski's Rule of Five, Angoletin has 2 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 Angoletin?
The CAS number of Angoletin is 80484-55-5.
What is the molecular formula of Angoletin?
The molecular formula of Angoletin is C18H20O4.
What is the molecular weight of Angoletin?
The molecular weight of Angoletin is 300.14 g/mol.
Where can I buy Angoletin?
You can request a quote for Angoletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angoletin?
Yes, KEHONG BIO provides custom synthesis services for Angoletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.