CAS RN: 24167-50-8
4-CYANO-N,N-DIMETHYLBENZAMIDE
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.20260520 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24167-50-8
- Purity/Analytical Methods: >99.0%
24167-50-8 / 4-cyano-N,N-dimethylbenzamide
Basic Information
CAS
24167-50-8
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CN(C)C(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H10N2O/c1-12(2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
InChIKey
CPSNYKXHMCDALW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.17
TPSA
44.1
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
0.7
Consensus LogP
1.02
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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