CAS RN: 312756-74-4
RS-1
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTR0215
- Purity/Analytical Methods: >98.0%(HPLC)
312756-74-4 / 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
Basic Information
CAS
312756-74-4
Multi CAS
Yes
Molecular Formula
C20H16BR2N2O3S
Molecular Weight
524.200000
Exact Mass
523.922790
InChI
InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
InChIKey
SWKAVEUTKGKHSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.7
TPSA
75.27
LogP / Solubility
WLOGP
4.94
MLOGP
4.39
XLogP3
4.6
Consensus LogP
4.64
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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2-AMINO-2-(4-FLUORO-PHENYL)-PROPIONIC ACID
- CAS RN: 312-44-7
- Product Code: starshine_CAS312-44-7
- Purity/Analytical method: >99.0%
![CAS 312-20-9 1-Bromo-4-[(trifluoromethyl)sulfonyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/312-20-9.gif)
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