CAS RN: 89985-88-6
1-(diphenylmethylene)amino-1-cyclopropanecarbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 1g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-202248
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 |
89985-88-6 / 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile
Basic Information
CAS
89985-88-6
Multi CAS
No
Molecular Formula
C17H14N2
Molecular Weight
246.310000
Exact Mass
246.115698
InChI
InChI=1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey
HRIPVXSRVSVPPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.1
TPSA
36.15
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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