Carbacerulenin
TL;DR: Carbacerulenin (CAS 147589-12-6) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4R,5S)-4-hydroxy-4-[(3E,6E)-octa-3,6-dienyl]-6-oxabicyclo[3.1.0]hexan-2-one
Also Known As: Carbacerulenin, dl-Carbacerulenin, (1R,4R,5S)-4-hydroxy-4-[(3E,6E)-octa-3,6-dienyl]-6-oxabicyclo[3.1.0]hexan-2-one, (1alpha,5alpha)-4beta-Hydroxy-4-[(3E,6E)-3,6-octadienyl]-6-oxabicyclo[3.1.0]hexan-2-one, (1R,4R,5S)-4-HYDROXY-4-[(3E,6E)-OCTA-3,6-DIEN-1-YL]-6-OXABICYCLO[3.1.0]HEXAN-2-ONE
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
| SMILES | C/C=C/C/C=C/CC[C@]1(CC(=O)[C@H]2[C@@H]1O2)O |
| InChIKey | QHVHSBUFOWIADJ-CDDKAPTLSA-N |
Chemical Property Profile of Carbacerulenin
Property Insights of Carbacerulenin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbacerulenin. With a topological polar surface area (TPSA) of 49.8 Ų, Carbacerulenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbacerulenin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbacerulenin?
The CAS number of Carbacerulenin is 147589-12-6.
What is the molecular formula of Carbacerulenin?
The molecular formula of Carbacerulenin is C13H18O3.
What is the molecular weight of Carbacerulenin?
The molecular weight of Carbacerulenin is 222.1256 g/mol.
Where can I buy Carbacerulenin?
You can request a quote for Carbacerulenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbacerulenin?
Yes, CoreyChem provides custom synthesis services for Carbacerulenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.