CAS RN: 400750-09-6
3′-FLUOROBIPHENYL-3-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.20250126 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS400750-09-6
- Purity/Analytical Methods: >99.0%
400750-09-6 / 3-(3-fluorophenyl)benzaldehyde
Basic Information
CAS
400750-09-6
Multi CAS
No
Molecular Formula
C13FH9O
Molecular Weight
200.210000
Exact Mass
200.063743
InChI
InChI=1S/C13H9FO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-9H
InChIKey
JKHXPCVGTFXSES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.22
TPSA
17.07
LogP / Solubility
WLOGP
3.31
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.59
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
Customers Also Viewed
-
-
-
3′-FLUORO-BIPHENYL-3-YLAMINE
- CAS RN: 400751-05-5
- Product Code: starshine_CAS400751-05-5
- Purity/Analytical method: >99.0%
-
4′-METHYL-BIPHENYL-3-YLAMINE
- CAS RN: 400751-16-8
- Product Code: starshine_CAS400751-16-8
- Purity/Analytical method: >99.0%
-
-
