Iridomirmecina
TL;DR: Iridomirmecina (CAS 1127-68-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
Also Known As: Iridomirmecina, Iridomyrmecin, Iridomyrmexin, Isoiridomyrmecin, Iridolactone
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 1127-68-0 |
|---|---|
| SMILES | CC1CCC2C1COC(=O)C2C |
| InChIKey | LYEFRAMOOLOUKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iridomirmecina (CAS 1127-68-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one.
Chemical Property Profile of Iridomirmecina
Property Insights of Iridomirmecina
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iridomirmecina. With a topological polar surface area (TPSA) of 26.3 Ų, Iridomirmecina exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iridomirmecina has 0 hydrogen bond donor(s) and 2 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 Iridomirmecina?
The CAS number of Iridomirmecina is 1127-68-0.
What is the molecular formula of Iridomirmecina?
The molecular formula of Iridomirmecina is C10H16O2.
What is the molecular weight of Iridomirmecina?
The molecular weight of Iridomirmecina is 168.12 g/mol.
Where can I buy Iridomirmecina?
You can request a quote for Iridomirmecina directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iridomirmecina?
Yes, KEHONG BIO provides custom synthesis services for Iridomirmecina and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.