CAS RN: 471909-43-0
(E)-4-Chloronicotinaldehyde oxime
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS471909-43-0
- Purity/Analytical Methods: >99.0%
471909-43-0 / (NE)-N-[(4-chloro-3-pyridinyl)methylidene]hydroxylamine
Basic Information
CAS
471909-43-0
Multi CAS
Yes
Molecular Formula
C6H5CLN2O
Molecular Weight
156.570000
Exact Mass
156.009041
InChI
InChI=1S/C6H5ClN2O/c7-6-1-2-8-3-5(6)4-9-10/h1-4,10H/b9-4+
InChIKey
MKJYDOKLIMMJDA-RUDMXATFSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.63
TPSA
45.48
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.58
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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