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CAS 447461-23-6 Pyridine, 4-methoxy-3,5-dimethyl- (9CI) molecular structure lightbox
CAS RN: 447461-23-6

Pyridine, 4-methoxy-3,5-dimethyl- (9CI)

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg In stock Shanghai Inquiry
Batchno.20250426 10g In stock Shanghai Inquiry
Batchno.20250410 1g In stock Shanghai Inquiry
Batchno.20250129 250mg In stock Shanghai Inquiry
Batchno.20250828 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS447461-23-6
  • Purity/Analytical Methods: >99.0%
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447461-23-6 / 4-methoxy-3,5-dimethylpyridine

Standard CAS: 447461-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
447461-23-6
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-6-4-9-5-7(2)8(6)10-3/h4-5H,1-3H3
InChIKey
NBZVILUCDBYYIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.26
TPSA
22.12

LogP / Solubility

WLOGP
1.71
MLOGP
1.49
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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