CAS RN: 18004-57-4
Anthracene-9-carbaldehydeoxime
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250128 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS18004-57-4
- Purity/Analytical Methods: >99.0%
18004-57-4 / N-(anthracen-9-ylmethylidene)hydroxylamine
Basic Information
CAS
18004-57-4
Multi CAS
No
Molecular Formula
C15H11NO
Molecular Weight
221.250000
Exact Mass
221.084064
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NO
InChI
InChI=1S/C15H11NO/c17-16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10,17H
InChIKey
HLGMTCSSRBPNOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.83
TPSA
32.59
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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