CAS RN: 948300-71-8
9,9-Dimethyl-9H-fluorene-2-carbaldehyde
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.20250427 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS948300-71-8
- Purity/Analytical Methods: >99.0%
948300-71-8 / 9,9-dimethylfluorene-2-carbaldehyde
Basic Information
CAS
948300-71-8
Multi CAS
No
Molecular Formula
C16H14O
Molecular Weight
222.280000
Exact Mass
222.104465
InChI
InChI=1S/C16H14O/c1-16(2)14-6-4-3-5-12(14)13-8-7-11(10-17)9-15(13)16/h3-10H,1-2H3
InChIKey
YJMRMSQQQCEPCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
69.39
TPSA
17.07
LogP / Solubility
WLOGP
3.81
MLOGP
3.35
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 948309-50-0 (11bS)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1S)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/948309-50-0.gif)
