![CAS 302818-73-1 (Z)-3-[4-(DIMETHYLAMINO)BENZYLIDENYL]INDOLIN-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4229166(1).gif)
CAS RN: 302818-73-1
(Z)-3-[4-(DIMETHYLAMINO)BENZYLIDENYL]INDOLIN-2-ONE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-134229
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 |
302818-73-1 / 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline
Basic Information
CAS
302818-73-1
Multi CAS
Yes
Molecular Formula
C17H21N3
Molecular Weight
267.370000
Exact Mass
267.173548
InChI
InChI=1S/C17H21N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12,17H,1-4H3
InChIKey
AKIIMLCQTGCWQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
86.76
TPSA
9.72
LogP / Solubility
WLOGP
3.34
MLOGP
2.94
XLogP3
3.7
Consensus LogP
3.33
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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