![CAS 99071-55-3 2-[4-(Cyanomethyl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c1748-jpgcontextbwfzdgvyfhjvb3r8mzu2mjj8aw1hz2uvanblz3xoywyvagfmlzg5mjk0otc2nduwodyvqze3ndguanbnfgjjywjjmznmmte5zjcwzgvkzddhywrlmgmzmtu5nzy5yte1odrjn2y1mdq3ytuwyzq3zjhkowi0zmnkmzm1zmm.jpeg)
CAS RN: 99071-55-3
2-[4-(Cyanomethyl)phenyl]acetamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 200mg | In stock | Shanghai | Inquiry |
- Product code: SSC-212990
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 | Hong Kong | Inquiry |
99071-55-3 / 2-[4-(cyanomethyl)phenyl]acetamide
Basic Information
CAS
99071-55-3
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5,7H2,(H2,12,13)
InChIKey
QNLWFGMDHQLLHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.66
TPSA
66.88
LogP / Solubility
WLOGP
0.78
MLOGP
0.68
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
