CAS RN: 400751-05-5
3′-FLUORO-BIPHENYL-3-YLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS400751-05-5
- Purity/Analytical Methods: >99.0%
400751-05-5 / 3-(3-fluorophenyl)aniline
Basic Information
CAS
400751-05-5
Multi CAS
No
Molecular Formula
C12FH10N
Molecular Weight
187.210000
Exact Mass
187.079727
InChI
InChI=1S/C12H10FN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,14H2
InChIKey
CGGCBTFQZVWVJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.25
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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
Customers Also Viewed
-
4′-METHYL-BIPHENYL-3-YLAMINE
- CAS RN: 400751-16-8
- Product Code: starshine_CAS400751-16-8
- Purity/Analytical method: >99.0%
-
-
-
-
-
