Isochromophilone Ia
TL;DR: Isochromophilone Ia (CAS 154037-52-2) is a chemical compound with molecular formula C23H25ClO5 and molecular weight 416.13904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R,9aR)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
Also Known As: Isochromophilone I, Isochromophilone Ia, Isochromophilone Ib, Tetrahydroisochromophilone, ACon0_000531
Technical Specifications
| Molecular Formula | C23H25ClO5 |
| Molecular Weight | 416.13904 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.13904 Da |
| Heavy Atoms | 29 |
| Complexity | 933.0 |
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C)Cl |
| InChIKey | BFKHRJFETIBYAU-WJKJBVSTSA-N |
Chemical Property Profile of Isochromophilone Ia
Property Insights of Isochromophilone Ia
The XLogP value of 4.3 indicates that Isochromophilone Ia is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone Ia. Following Lipinski's Rule of Five, Isochromophilone Ia has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isochromophilone Ia?
The CAS number of Isochromophilone Ia is 154037-52-2.
What is the molecular formula of Isochromophilone Ia?
The molecular formula of Isochromophilone Ia is C23H25ClO5.
What is the molecular weight of Isochromophilone Ia?
The molecular weight of Isochromophilone Ia is 416.13904 g/mol.
Where can I buy Isochromophilone Ia?
You can request a quote for Isochromophilone Ia directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isochromophilone Ia?
Yes, CoreyChem provides custom synthesis services for Isochromophilone Ia and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.