CAS RN: 51652-39-2
2-Methoxyphenalen-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260318 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS51652-39-2
- Purity/Analytical Methods: >99.0%
51652-39-2 / 2-methoxyphenalen-1-one
Basic Information
CAS
51652-39-2
Multi CAS
No
Molecular Formula
C14H10O2
Molecular Weight
210.230000
Exact Mass
210.068080
InChI
InChI=1S/C14H10O2/c1-16-12-8-10-6-2-4-9-5-3-7-11(13(9)10)14(12)15/h2-8H,1H3
InChIKey
FMZHCYXNNGLTLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.26
TPSA
26.3
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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