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CAS 884600-82-2 2-CLOROPYRIDINE-4-METHYLACETATE molecular structure lightbox
CAS RN: 884600-82-2

2-CLOROPYRIDINE-4-METHYLACETATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS884600-82-2
  • Purity/Analytical Methods: >99.0%
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884600-82-2 / methyl 2-(2-chloro-4-pyridinyl)acetate

Standard CAS: 884600-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
884600-82-2
Multi CAS
No
Molecular Formula
C8H8CLNO2
Molecular Weight
185.610000
Exact Mass
185.024356
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)5-6-2-3-10-7(9)4-6/h2-4H,5H2,1H3
InChIKey
RQZVZTKKGCCTTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.97
TPSA
39.19

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.6
Consensus LogP
1.44
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.82

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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