CAS RN: 4341-02-0
2-(2-cyanophenyl)benzonitrile
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251012 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260507 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251022 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20250225 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260320 | 5g | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS4341-02-0
- Purity/Analytical Methods: >99.0%
4341-02-0 / 2-(2-cyanophenyl)benzonitrile
Basic Information
CAS
4341-02-0
Multi CAS
Yes
Molecular Formula
C14H8N2
Molecular Weight
204.230000
Exact Mass
204.068748
InChI
InChI=1S/C14H8N2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8H
InChIKey
XDQREGRMKWTMOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.31
TPSA
47.58
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3.01
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-1.77
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
-
-
-
ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
- CAS RN: 4343-73-1
- Product Code: SSC-151664
-
4-AMINO-4H-1,2,4-TRIAZOLE-3-THIOL
- CAS RN: 4343-75-3
- Product Code: starshine_CAS4343-75-3
- Purity/Analytical method: >99.0%
-
-
