Isomeranzin
TL;DR: Isomeranzin (CAS 1088-17-1) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one
Also Known As: Isomeranzin, Isomerazin, Isoauraptene, Isoaurapten, Isomerancin
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 1088-17-1 |
|---|---|
| SMILES | CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC |
| InChIKey | OMOYQLRHKFGVGN-UHFFFAOYSA-N |
Product Overview
Isomeranzin (CAS 1088-17-1), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one.
Chemical Property Profile of Isomeranzin
Property Insights of Isomeranzin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomeranzin. With a topological polar surface area (TPSA) of 52.6 Ų, Isomeranzin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomeranzin 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 Isomeranzin?
The CAS number of Isomeranzin is 1088-17-1.
What is the molecular formula of Isomeranzin?
The molecular formula of Isomeranzin is C15H16O4.
What is the molecular weight of Isomeranzin?
The molecular weight of Isomeranzin is 260.10 g/mol.
Where can I buy Isomeranzin?
You can request a quote for Isomeranzin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomeranzin?
Yes, KEHONG BIO provides custom synthesis services for Isomeranzin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.