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: 0.25g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 745798-07-6
Pack Size
Recorded Purity
Available Qty
Ship From
Inquiry
0.25g
≥95%
0
Out of Stock
Shanghai
Inquiry
745798-07-6 / 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide
Standard CAS: 745798-07-6
Multi CAS: No
Basic Information
copy
CAS
745798-07-6 copy
Multi CAS
No copy
Molecular Formula
C20H25N3O2 copy
Molecular Weight
339.400000 copy
Exact Mass
339.194677 copy
InChI
InChI=1S/C20H25N3O2/c1-13-7-5-8-14(2)19(13)22-17(24)11-21-12-18(25)23-20-15(3)9-6-10-16(20)4/h5-10,21H,11-12H2,1-4H3,(H,22,24)(H,23,25) copy
InChIKey
UMQJGNLKESQUOD-UHFFFAOYSA-N copy
Computed Properties
copy
Structural Parameters
Heavy atom count
25 copy
Aromatic heavy atom count
12 copy
Fraction Csp3
0.3 copy
Rotatable bonds
6 copy
H-bond acceptors
3 copy
H-bond donors
3 copy
Molar refractivity
101.96 copy
TPSA
70.23 copy
LogP / Solubility
WLOGP
3.09 copy
MLOGP
2.73 copy
XLogP3
3.1 copy
Consensus LogP
2.97 copy
Log S (ESOL)
-3.85 copy
Class (ESOL)
Poorly soluble copy
Log S (Ali)
-4.57 copy
Class (Ali)
Slightly soluble copy
Log S (SILICOS-IT)
-5.15 copy
Class (SILICOS-IT)
Slightly soluble copy
ADME
GI absorption
High copy
BBB permeant
Yes copy
P-gp substrate
No copy
CYP1A2 inhibitor
Yes copy
CYP2C19 inhibitor
Yes copy
CYP2C9 inhibitor
Yes copy
CYP2D6 inhibitor
Yes copy
CYP3A4 inhibitor
No copy
Log Kp (skin permeation)
-2.6 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
Yes copy
Veber
Yes copy
Egan
Yes copy
Muegge
Yes copy
Bioavailability score
0.55 copy
Leadlikeness
Yes copy
Synthetic Accessibility
2.5 copy