CAS RN: 5462-81-7
(NE)-N-(7-methyltetralin-1-ylidene)hydroxylamine
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.20260420 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5462-81-7
- Purity/Analytical Methods: >99.0%
5462-81-7 / N-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Basic Information
CAS
5462-81-7
Multi CAS
Yes
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c1-8-5-6-9-3-2-4-11(12-13)10(9)7-8/h5-7,13H,2-4H2,1H3/b12-11-
InChIKey
NRXXCKJRKNRTSY-QXMHVHEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.44
TPSA
32.59
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.01
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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