CAS RN: 39581-30-1
2-cyano-N-methyl-N-phenylacetamide
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.20250612 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39581-30-1
- Purity/Analytical Methods: >99.0%
39581-30-1 / 2-cyano-N-methyl-N-phenylacetamide
Basic Information
CAS
39581-30-1
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
TYNMTKVSZGKSFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.08
TPSA
44.1
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.67
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
-
-
-
-
-
4-aMino-1-Methyl-4H-1,2,4-triazol-1-iuM iodide
- CAS RN: 39602-93-2
- Product Code: starshine_CAS39602-93-2
- Purity/Analytical method: >99.0%
-
![CAS 39588-26-6 IMIDAZO[1,2-A]PYRIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39588-26-6.gif)
