CAS RN: 36635-66-2
α-(p-Toluenesulfonyl)benzyl Isocyanide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260206 | 100g | Out of stock | Inquiry | ||
| Batchno.20251130 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260203 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250710 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260309 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batchno.20250821 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-143849
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 | Hong Kong | Inquiry |
36635-66-2 / 2-(4-methylphenyl)sulfonyl-2-phenylacetonitrile
Basic Information
CAS
36635-66-2
Multi CAS
Yes
Molecular Formula
C15H13NO2S
Molecular Weight
271.300000
Exact Mass
271.066700
InChI
InChI=1S/C15H13NO2S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey
CVPNVSHNHQJGLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.16
TPSA
57.93
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
