Isopatulin
TL;DR: Isopatulin (CAS 70402-10-7) is a chemical compound with molecular formula C7H6O4 and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
Also Known As: neopatulin, isopatulin, Isopatulin / Neopatulin, 6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one, 6-hydroxy-4H-Furo[3,2-c]pyran-2(6H)-one
| Molecular Formula | C7H6O4 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.02661 |
| Heavy Atoms | 11 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 70402-10-7 |
|---|---|
| SMILES | C1C2=CC(=O)OC2=CC(O1)O |
| InChIKey | ZGBMSNKHUHZKEP-UHFFFAOYSA-N |
Product Overview
Isopatulin (CAS 70402-10-7), with molecular formula C7H6O4 and molecular weight 154.03 g/mol. IUPAC: 6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
Chemical Property Profile of Isopatulin
Property Insights of Isopatulin
The XLogP value of -1.0 indicates that Isopatulin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Isopatulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopatulin 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 Isopatulin?
The CAS number of Isopatulin is 70402-10-7.
What is the molecular formula of Isopatulin?
The molecular formula of Isopatulin is C7H6O4.
What is the molecular weight of Isopatulin?
The molecular weight of Isopatulin is 154.03 g/mol.
Where can I buy Isopatulin?
You can request a quote for Isopatulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopatulin?
Yes, KEHONG BIO provides custom synthesis services for Isopatulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.