Alloimperatorin
TL;DR: Alloimperatorin (CAS 642-05-7) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
Also Known As: Alloimperatorin, Prangenidin, allo-imperatorin, 8-Hydroxy-5-prenylpsoralen, ALLOIMPERATORIN [INCI]
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 642-05-7 |
|---|---|
| SMILES | CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C |
| InChIKey | KDXVVZMYSLWJMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alloimperatorin (CAS 642-05-7), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one.
Chemical Property Profile of Alloimperatorin
Property Insights of Alloimperatorin
The XLogP value of 3.9 indicates that Alloimperatorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, Alloimperatorin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alloimperatorin 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 Alloimperatorin?
The CAS number of Alloimperatorin is 642-05-7.
What is the molecular formula of Alloimperatorin?
The molecular formula of Alloimperatorin is C16H14O4.
What is the molecular weight of Alloimperatorin?
The molecular weight of Alloimperatorin is 270.09 g/mol.
Where can I buy Alloimperatorin?
You can request a quote for Alloimperatorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alloimperatorin?
Yes, KEHONG BIO provides custom synthesis services for Alloimperatorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.