![CAS 330792-68-2 Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)Methylene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330792-68-2.gif)
CAS RN: 330792-68-2
Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)Methylene]-
- Product code: SSC-138931
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 |
330792-68-2 / 2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile
Basic Information
CAS
330792-68-2
Multi CAS
Yes
Molecular Formula
C16H10N2O2
Molecular Weight
262.260000
Exact Mass
262.074228
InChI
InChI=1S/C16H10N2O2/c17-10-13(11-18)16(19)12-6-8-15(9-7-12)20-14-4-2-1-3-5-14/h1-9,19H
InChIKey
MWTPPIZIKZHMSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.73
TPSA
77.04
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
3
Consensus LogP
3.38
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.63
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
1.5
Customers Also Viewed
-
![CAS 330792-69-3 Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
- CAS RN: 330792-69-3
- Product Code: SSC-138932
-
5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
- CAS RN: 330792-70-6
- Product Code: SSC-138933
-
“2-Phenoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine”
- CAS RN: 330792-76-2
- Product Code: starshine_CAS330792-76-2
- Purity/Analytical method: >99.0%
-
4-(Pyrimidin-2-yloxy)phenylboronic acid pinacol ester
- CAS RN: 330792-87-5
- Product Code: SSC-138934
-
-
TERT-BUTYL-N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATE
- CAS RN: 330793-09-4
- Product Code: SSC-138937
![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 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)