CAS RN: 368-72-9
3-AMINO-4-CHLOROBENZENESULFONYL FLUORIDE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS368-72-9
- Purity/Analytical Methods: >99.0%
368-72-9 / 3-amino-4-chlorobenzenesulfonyl fluoride
Basic Information
CAS
368-72-9
Multi CAS
Yes
Molecular Formula
C6H5CLFNO2S
Molecular Weight
209.630000
Exact Mass
208.971355
InChI
InChI=1S/C6H5ClFNO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H,9H2
InChIKey
HNZYBSQZUOJCDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.16
TPSA
60.16
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.88
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
-
-
-
-
4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE
- CAS RN: 368-94-5
- Product Code: starshine_CAS368-94-5
- Purity/Analytical method: >99.0%
-
-
