Isochromophilone IIb
TL;DR: Isochromophilone IIb (CAS 154037-53-3) is a chemical compound with molecular formula C44H54Cl2O8 and molecular weight 780.3196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one;(7R,8R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
Also Known As: Isochromophilone IIb, (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one;(7R,8R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one, 6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3Z,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-, 6H-2-Benzopyran-6-one, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R-(3(1E,3Z,5S*),7alpha,8alpha))-, (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one; (7R,8R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
Technical Specifications
| Molecular Formula | C44H54Cl2O8 |
| Molecular Weight | 780.3196 g/mol |
| XLogP | 9.5098 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 780.3196 Da |
| Heavy Atoms | 54 |
| Complexity | 797.0 |
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl.CC[C@H](C)/C=C(/C)\C=C\C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl |
| InChIKey | GWPINGGHIUCZQZ-BFSBODJASA-N |
Chemical Property Profile of Isochromophilone IIb
Property Insights of Isochromophilone IIb
The XLogP value of 9.5098 indicates that Isochromophilone IIb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone IIb. Following Lipinski's Rule of Five, Isochromophilone IIb has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isochromophilone IIb?
The CAS number of Isochromophilone IIb is 154037-53-3.
What is the molecular formula of Isochromophilone IIb?
The molecular formula of Isochromophilone IIb is C44H54Cl2O8.
What is the molecular weight of Isochromophilone IIb?
The molecular weight of Isochromophilone IIb is 780.3196 g/mol.
Where can I buy Isochromophilone IIb?
You can request a quote for Isochromophilone IIb directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isochromophilone IIb?
Yes, CoreyChem provides custom synthesis services for Isochromophilone IIb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.