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CAS 154410-82-9 (Z)-Methyl 2-(hydroxyiMino)-2-(pyridin-2-yl)acetate molecular structure lightbox
CAS RN: 154410-82-9

(Z)-Methyl 2-(hydroxyiMino)-2-(pyridin-2-yl)acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS154410-82-9
  • Purity/Analytical Methods: >99.0%
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154410-82-9 / methyl (2Z)-2-hydroxyimino-2-pyridin-2-ylacetate

Standard CAS: 154410-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154410-82-9
Multi CAS
No
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
SMILES
COC(=O)/C(=N\O)/C1=CC=CC=N1
InChI
InChI=1S/C8H8N2O3/c1-13-8(11)7(10-12)6-4-2-3-5-9-6/h2-5,12H,1H3/b10-7-
InChIKey
INGNGFMBSDVQRV-YFHOEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.58
TPSA
71.78

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
1.7
Consensus LogP
0.84
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.51

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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