CAS RN: 155709-41-4
Isomaglone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250910 | 5mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS155709-41-4
- Purity/Analytical Methods: >99.0%
155709-41-4 / 1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one
Basic Information
CAS
155709-41-4
Multi CAS
No
Molecular Formula
C18H18O3
Molecular Weight
282.300000
Exact Mass
282.125594
SMILES
CCC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O
InChI
InChI=1S/C18H18O3/c1-3-5-13-6-11-17(20)18(12-13)21-15-9-7-14(8-10-15)16(19)4-2/h3,6-12,20H,1,4-5H2,2H3
InChIKey
LVHHYWFCRQIOJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.15
TPSA
46.53
LogP / Solubility
WLOGP
4.51
MLOGP
3.97
XLogP3
4.3
Consensus LogP
4.26
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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