CAS RN: 91394-73-9
91394-73-9
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.20251022 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS91394-73-9
- Purity/Analytical Methods: >99.0%
91394-73-9 / N-(3-bromophenyl)benzenesulfonamide
Basic Information
CAS
91394-73-9
Multi CAS
Yes
Molecular Formula
BC12H10O2RnS
Molecular Weight
312.180000
Exact Mass
310.961560
InChI
InChI=1S/C12H10BrNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
InChIKey
PNTFBASRFYOFKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.39
TPSA
46.17
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Piperazine, 1-(hydroxyacetyl)-4-methyl- (9CI)
- CAS RN: 91406-27-8
- Product Code: starshine_CAS91406-27-8
- Purity/Analytical method: >99.0%
-
-
-
2-AMINO-5-IODO-3-METHYLPYRAZINE
- CAS RN: 91416-90-9
- Product Code: starshine_CAS91416-90-9
- Purity/Analytical method: >99.0%
-
