CAS RN: 29005-18-3
9H-Fluoren-2-amine, 3-nitro-
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.20260607 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29005-18-3
- Purity/Analytical Methods: >99.0%
29005-18-3 / 3-nitro-9H-fluoren-2-amine
Basic Information
CAS
29005-18-3
Multi CAS
No
Molecular Formula
C13H10N2O2
Molecular Weight
226.230000
Exact Mass
226.074228
InChI
InChI=1S/C13H10N2O2/c14-12-6-9-5-8-3-1-2-4-10(8)11(9)7-13(12)15(16)17/h1-4,6-7H,5,14H2
InChIKey
JDFGKQNZCKSYQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.75
TPSA
69.16
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.15
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
