![CAS 906440-37-7 2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/906440-37-7.gif)
CAS RN: 906440-37-7
2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol
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.20250206 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS906440-37-7
- Purity/Analytical Methods: >99.0%
906440-37-7 / 2-[(2-nitrofluoren-9-ylidene)methyl]phenol
Basic Information
CAS
906440-37-7
Multi CAS
Yes
Molecular Formula
C20H13NO3
Molecular Weight
315.300000
Exact Mass
315.089543
InChI
InChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11-
InChIKey
PEYKRJBXACUOOB-WQRHYEAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.61
TPSA
63.37
LogP / Solubility
WLOGP
4.87
MLOGP
4.3
XLogP3
4.6
Consensus LogP
4.59
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
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
3
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![CAS 906477-25-6 2-(2-FLUOROPHENYL)-1H-IMIDAZOL-5-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/906477-25-6.gif)
