CAS RN: 696-18-4
1-phenylaziridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-179289
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 | Beijing | Inquiry |
696-18-4 / 1-phenylaziridine
Basic Information
CAS
696-18-4
Multi CAS
Yes
Molecular Formula
C8H9N
Molecular Weight
119.160000
Exact Mass
119.073499
InChI
InChI=1S/C8H9N/c1-2-4-8(5-3-1)9-6-7-9/h1-5H,6-7H2
InChIKey
YKNKBBMRKMLLJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.66
TPSA
3.01
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.38
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
1.5
Customers Also Viewed
-
3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
- CAS RN: 696-22-0
- Product Code: starshine_CAS696-22-0
- Purity/Analytical method: >99.0%
-
-
-
-
-
