CAS RN: 55873-21-7
4′-Cyanobenzylidene-4-butoxyaniline
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.20250829 | 200mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-163824
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
55873-21-7 / 4-[(4-butoxyphenyl)iminomethyl]benzonitrile
Basic Information
CAS
55873-21-7
Multi CAS
Yes
Molecular Formula
C18H18N2O
Molecular Weight
278.300000
Exact Mass
278.141913
InChI
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-8-17(9-11-18)20-14-16-6-4-15(13-19)5-7-16/h4-11,14H,2-3,12H2,1H3
InChIKey
NFABQUNUXAXGBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
85.26
TPSA
45.38
LogP / Solubility
WLOGP
4.49
MLOGP
3.96
XLogP3
4.2
Consensus LogP
4.22
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
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
2.5
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