CAS RN: 33375-06-3
(R)-(+)-α-Methylbenzyl Isocyanate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250316 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250831 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250621 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 5g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 1g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTI0334
- Purity/Analytical Methods: >98.0%(GC)
33375-06-3 / 1-isocyanatoethylbenzene
Basic Information
CAS
33375-06-3
Multi CAS
Yes
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey
JJSCUXAFAJEQGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.98
TPSA
29.43
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.9
Consensus LogP
2.27
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
