CAS RN: 2019-71-8
2-Hydroxy-N,N-dimethyl-2-phenylacetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH900400
2019-71-8 / 2-hydroxy-N,N-dimethyl-2-phenylacetamide
Basic Information
CAS
2019-71-8
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CN(C)C(=O)C(C1=CC=CC=C1)O
InChI
InChI=1S/C10H13NO2/c1-11(2)10(13)9(12)8-6-4-3-5-7-8/h3-7,9,12H,1-2H3
InChIKey
RAPXOLIRIJRICD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.1
TPSA
40.54
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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