CAS RN: 6633-42-7
2,3-Diamino-9H-fluoren-9-one
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.20260331 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6633-42-7
- Purity/Analytical Methods: >99.0%
6633-42-7 / 2,3-diaminofluoren-9-one
Basic Information
CAS
6633-42-7
Multi CAS
Yes
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
InChI
InChI=1S/C13H10N2O/c14-11-5-9-7-3-1-2-4-8(7)13(16)10(9)6-12(11)15/h1-6H,14-15H2
InChIKey
MSURJSLHFVCZLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.14
TPSA
69.11
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.3
Consensus LogP
2.06
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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