![CAS 330792-69-3 Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330792-69-3.gif)
CAS RN: 330792-69-3
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
- Product code: SSC-138932
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
330792-69-3 / 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
Basic Information
CAS
330792-69-3
Multi CAS
Yes
Molecular Formula
C17H12N2O2
Molecular Weight
276.290000
Exact Mass
276.089878
InChI
InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3
InChIKey
IRVRZQLHMPWLLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
78.11
TPSA
66.04
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.3
Consensus LogP
3.54
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 330792-76-2 “2-Phenoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330792-76-2.gif)
![CAS 330793-09-4 TERT-BUTYL-N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330793-09-4.gif)
