CAS RN: 519-88-0
ambucetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
| Batchno.20251012 |
100mg |
Out of stock |
Inquiry |
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Product code:
starshine_CAS519-88-0
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Purity/Analytical Methods:
>99.0%
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519-88-0 / 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
Standard CAS: 519-88-0
Multi CAS: No
Basic Information
CAS
519-88-0
Multi CAS
No
Molecular Formula
C17H28N2O2
Molecular Weight
292.400000
Exact Mass
292.215078
InChI
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)
InChIKey
WUSAVCGXMSWMQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.32
TPSA
55.56
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3