![CAS 29786-41-2 1-[(4-methylphenyl)amino]cyclobutanecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29786-41-2.gif)
CAS RN: 29786-41-2
1-[(4-methylphenyl)amino]cyclobutanecarbonitrile
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.20260314 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-132954
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 |
29786-41-2 / 1-(4-methylphenyl)cyclobutane-1-carbonitrile
Basic Information
CAS
29786-41-2
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-12/h3-6H,2,7-8H2,1H3
InChIKey
DXJLBWWXUBESNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.32
TPSA
23.79
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(2-(trifluoromethyl)phenyl)cyclobutane-1-carbonitrile
- CAS RN: 29786-42-3
- Product Code: SSC-132955
-
1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile
- CAS RN: 29786-43-4
- Product Code: SSC-132956
-
1-(4-(trifluoroMethyl)phenyl)cyclobutanecarbonitrile
- CAS RN: 29786-44-5
- Product Code: SSC-132957
-
N,1,1-Trimethyl-1-propanamine
- CAS RN: 2978-64-5
- Product Code: starshine_CAS2978-64-5
- Purity/Analytical method: >99.0%
-
-
