CAS RN: 30954-71-3
Ethanone, 1-(2-amino-5-hydroxyphenyl)- (9CI)
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.20250131 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30954-71-3
- Purity/Analytical Methods: >99.0%
30954-71-3 / 1-(2-amino-5-hydroxyphenyl)ethanone
Basic Information
CAS
30954-71-3
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,9H2,1H3
InChIKey
UAYRCOSFOXJQAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.52
TPSA
63.32
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.2
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.65
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)
-2.81
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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