CAS RN: 848655-78-7
N-(4-AMINO-2-ETHOXYPHENYL)ACETAMIDE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS848655-78-7
- Purity/Analytical Methods: >99.0%
848655-78-7 / N-(4-amino-2-ethoxyphenyl)acetamide
Basic Information
CAS
848655-78-7
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c1-3-14-10-6-8(11)4-5-9(10)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKey
DHGOCWAAYBDAIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.33
TPSA
64.35
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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