![CAS 319016-04-1 4-[(4-methoxyphenyl)amino]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319016-04-1.gif)
CAS RN: 319016-04-1
4-[(4-methoxyphenyl)amino]benzonitrile
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.20260611 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS319016-04-1
- Purity/Analytical Methods: >99.0%
319016-04-1 / 4-(4-methoxyanilino)benzonitrile
Basic Information
CAS
319016-04-1
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
InChI
InChI=1S/C14H12N2O/c1-17-14-8-6-13(7-9-14)16-12-4-2-11(10-15)3-5-12/h2-9,16H,1H3
InChIKey
ADFFIBFCJODNOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.43
TPSA
45.05
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
L-Serine, O-(2-methoxyethyl)- (9CI)
- CAS RN: 319427-45-7
- Product Code: starshine_CAS319427-45-7
- Purity/Analytical method: >99.0%
-
-
Pyrazolo[1,5-a]pyridine-7-carbonitrile
- CAS RN: 319432-36-5
- Product Code: starshine_CAS319432-36-5
- Purity/Analytical method: >99.0%
-
-
Ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate
- CAS RN: 319442-18-7
- Product Code: SSC-137388
-
Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyriMidine-2-carboxylate
- CAS RN: 319442-19-8
- Product Code: SSC-137389
![CAS 319432-22-9 7-IODO-PYRAZOLO[1,5-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319432-22-9.gif)
![CAS 319432-36-5 Pyrazolo[1,5-a]pyridine-7-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319432-36-5.gif)
![CAS 319442-16-5 Thieno[3,2-d]pyrimidine, 4-chloro-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319442-16-5.gif)
![CAS 319442-18-7 Ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319442-18-7.gif)
![CAS 319442-19-8 Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyriMidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/319442-19-8.gif)