Isochromophilone VII
TL;DR: Isochromophilone VII (CAS 175448-30-3) is a chemical compound with molecular formula C21H25ClO6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate
Also Known As: Isochromophilone VII, [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate, 5-chloro-3-(3',5'-dimethyl-1',3'-heptadienyl)-1,7,8a-trihydro-7,8a-dihydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione 7-acetate, (5-chloro-3-((1E,3E)-3,5-dimethylhepta-1,3-dienyl)-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl) acetate, 1H-2-Benzopyran-6,8(7H,8aH)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-8a-hydroxy-7-methyl-
| Molecular Formula | C21H25ClO6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.1467 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.13397 |
| Heavy Atoms | 28 |
| Complexity | 833.83386 |
Chemical Identifiers
| CAS Number | 175448-30-3 |
|---|---|
| SMILES | CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl |
Product Overview
Isochromophilone VII (CAS 175448-30-3), with molecular formula C21H25ClO6 and molecular weight 408.13 g/mol. IUPAC: [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate.
Chemical Property Profile of Isochromophilone VII
Property Insights of Isochromophilone VII
The XLogP value of 3.1467 indicates that Isochromophilone VII is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone VII. Following Lipinski's Rule of Five, Isochromophilone VII has 1 hydrogen bond donor(s) and 6 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 Isochromophilone VII?
The CAS number of Isochromophilone VII is 175448-30-3.
What is the molecular formula of Isochromophilone VII?
The molecular formula of Isochromophilone VII is C21H25ClO6.
What is the molecular weight of Isochromophilone VII?
The molecular weight of Isochromophilone VII is 408.13 g/mol.
Where can I buy Isochromophilone VII?
You can request a quote for Isochromophilone VII directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochromophilone VII?
Yes, KEHONG BIO provides custom synthesis services for Isochromophilone VII and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.