CAS RN: 54758-75-7
2′-HYDROXYACETOPHENONE OXIME ACETATE
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.20251218 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54758-75-7
- Purity/Analytical Methods: >99.0%
54758-75-7 / [1-(2-hydroxyphenyl)ethylideneamino] acetate
Basic Information
CAS
54758-75-7
Multi CAS
Yes
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-7(11-14-8(2)12)9-5-3-4-6-10(9)13/h3-6,13H,1-2H3/b11-7-
InChIKey
IDGZAIMNRXPJNW-XFFZJAGNSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.08
TPSA
58.89
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.71
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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