(-)-Irofulven
TL;DR: (-)-Irofulven (CAS 158440-71-2) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
Also Known As: Irofulven, (-)-Irofulven, HMAF, (R)-Irofulven, Irofulvene
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 158440-71-2 |
|---|---|
| SMILES | CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO |
| InChIKey | NICJCIQSJJKZAH-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(-)-Irofulven (CAS 158440-71-2), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one.
Chemical Property Profile of (-)-Irofulven
Property Insights of (-)-Irofulven
The XLogP value of -0.2 indicates that (-)-Irofulven is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, (-)-Irofulven exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-Irofulven has 2 hydrogen bond donor(s) and 3 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 (-)-Irofulven?
The CAS number of (-)-Irofulven is 158440-71-2.
What is the molecular formula of (-)-Irofulven?
The molecular formula of (-)-Irofulven is C15H18O3.
What is the molecular weight of (-)-Irofulven?
The molecular weight of (-)-Irofulven is 246.13 g/mol.
Where can I buy (-)-Irofulven?
You can request a quote for (-)-Irofulven directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Irofulven?
Yes, KEHONG BIO provides custom synthesis services for (-)-Irofulven and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.