Isochromophilone VIII
TL;DR: Isochromophilone VIII (CAS 167173-90-2) is a chemical compound with molecular formula C21H27ClO5 and molecular weight 394.15 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]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
Also Known As: Isochromophilone VIII, Isochromophilone IV, FO-4164 VIII, [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate, 5-chloro-3-(3',5'-dimethyl-1',3'--heptadienyl)-1,7,8,8a-tetrahydro-7,8-dihydroxy-7-methyl-6H-2-benzopyran-6-one 8-acetate
| Molecular Formula | C21H27ClO5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.8236 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1547 |
| Heavy Atoms | 27 |
| Complexity | 741.6709 |
Chemical Identifiers
| CAS Number | 167173-90-2 |
|---|---|
| SMILES | CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(C2CO1)OC(=O)C)(C)O)Cl |
Product Overview
Isochromophilone VIII (CAS 167173-90-2), with molecular formula C21H27ClO5 and molecular weight 394.15 g/mol. IUPAC: [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate.
Chemical Property Profile of Isochromophilone VIII
Property Insights of Isochromophilone VIII
The XLogP value of 3.8236 indicates that Isochromophilone VIII is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone VIII. Following Lipinski's Rule of Five, Isochromophilone VIII has 1 hydrogen bond donor(s) and 5 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 VIII?
The CAS number of Isochromophilone VIII is 167173-90-2.
What is the molecular formula of Isochromophilone VIII?
The molecular formula of Isochromophilone VIII is C21H27ClO5.
What is the molecular weight of Isochromophilone VIII?
The molecular weight of Isochromophilone VIII is 394.15 g/mol.
Where can I buy Isochromophilone VIII?
You can request a quote for Isochromophilone VIII directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochromophilone VIII?
Yes, KEHONG BIO provides custom synthesis services for Isochromophilone VIII and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.