Isoimperatorin
TL;DR: Isoimperatorin (CAS 482-45-1) 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.
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Also Known As: Isoimperatorin, Iso-imperatorin, Iso Imperatorin, Isoimperatoin, Auraptin
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| Melting Point | 98-100 °C |
Chemical Identifiers
| CAS Number | 482-45-1 |
|---|---|
| SMILES | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C |
| InChIKey | IGWDEVSBEKYORK-UHFFFAOYSA-N |
Product Overview
Isoimperatorin (CAS 482-45-1), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one.
Chemical Property Profile of Isoimperatorin
Property Insights of Isoimperatorin
The XLogP value of 3.8 indicates that Isoimperatorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, Isoimperatorin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoimperatorin 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 Isoimperatorin?
The CAS number of Isoimperatorin is 482-45-1.
What is the molecular formula of Isoimperatorin?
The molecular formula of Isoimperatorin is C16H14O4.
What is the molecular weight of Isoimperatorin?
The molecular weight of Isoimperatorin is 270.09 g/mol.
Where can I buy Isoimperatorin?
You can request a quote for Isoimperatorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoimperatorin?
Yes, KEHONG BIO provides custom synthesis services for Isoimperatorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.