CAS RN: 936548-16-2
A-TOSYL-(2-BROMOBENZYL) ISOCYANIDE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-208003
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
936548-16-2 / 1-bromo-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
Basic Information
CAS
936548-16-2
Multi CAS
Yes
Molecular Formula
BC15H12O2RnS
Molecular Weight
350.200000
Exact Mass
348.977210
InChI
InChI=1S/C15H12BrNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h3-10,15H,1H3
InChIKey
FDHXCUCSERDBAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
81.85
TPSA
38.5
LogP / Solubility
WLOGP
4.15
MLOGP
3.67
XLogP3
3.7
Consensus LogP
3.84
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-Cyclopropyl-3-Fluoroazetidine Hydrochloride
- CAS RN: 936548-77-5
- Product Code: SSC-208004
-
-
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester
- CAS RN: 936551-50-7
- Product Code: SSC-208007
-
PCI-32765 (RaceMate)
- CAS RN: 936563-87-0
- Product Code: starshine_CAS936563-87-0
- Purity/Analytical method: >99.0%
-
2-Propen-1-one, 1-[4-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-1-piperidinyl]-
- CAS RN: 936563-92-7
- Product Code: starshine_CAS936563-92-7
- Purity/Analytical method: >99.0%
-
![CAS 936551-50-7 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936551-50-7.gif)
![CAS 936563-92-7 2-Propen-1-one, 1-[4-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-1-piperidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936563-92-7.gif)
