CAS RN: 701-43-9
3-CHLORO-4-FLUOROBENZAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250304 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS701-43-9
- Purity/Analytical Methods: >99.0%
701-43-9 / 3-chloro-4-fluorobenzamide
Basic Information
CAS
701-43-9
Multi CAS
No
Molecular Formula
C7H5CLFNO
Molecular Weight
173.570000
Exact Mass
173.004370
InChI
InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey
AEYMQEMBMKCNEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.93
TPSA
43.09
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
Benzoyl fluoride, 4-methoxy- (9CI)
- CAS RN: 701-53-1
- Product Code: starshine_CAS701-53-1
- Purity/Analytical method: >99.0%
-
-
3-(CYCLOHEXYLAMINO)PROPIONITRILE
- CAS RN: 702-03-4
- Product Code: starshine_CAS702-03-4
- Purity/Analytical method: >99.0%
