Isochromophilone IIa
TL;DR: Isochromophilone IIa (CAS 154170-71-5) is a chemical compound with molecular formula C22H27ClO4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
Also Known As: Isochromophilone IIa, Isochromophilone II, 5-Nonanol,4-methyl, J1.012.673H, (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
| Molecular Formula | C22H27ClO4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 4.7549 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.1598 |
| Heavy Atoms | 27 |
| Complexity | 793.13043 |
Chemical Identifiers
| CAS Number | 154170-71-5 |
|---|---|
| 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 |
Product Overview
Isochromophilone IIa (CAS 154170-71-5), with molecular formula C22H27ClO4 and molecular weight 390.16 g/mol. IUPAC: (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.
Chemical Property Profile of Isochromophilone IIa
Property Insights of Isochromophilone IIa
The XLogP value of 4.7549 indicates that Isochromophilone IIa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone IIa. Following Lipinski's Rule of Five, Isochromophilone IIa has 1 hydrogen bond donor(s) and 4 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 IIa?
The CAS number of Isochromophilone IIa is 154170-71-5.
What is the molecular formula of Isochromophilone IIa?
The molecular formula of Isochromophilone IIa is C22H27ClO4.
What is the molecular weight of Isochromophilone IIa?
The molecular weight of Isochromophilone IIa is 390.16 g/mol.
Where can I buy Isochromophilone IIa?
You can request a quote for Isochromophilone IIa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochromophilone IIa?
Yes, KEHONG BIO provides custom synthesis services for Isochromophilone IIa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.