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CAS 52062-26-7 4-Methoxypyridine-2,6-dicarboxylic acid molecular structure lightbox
CAS RN: 52062-26-7

4-Methoxypyridine-2,6-dicarboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 1g In stock Shanghai Inquiry
Batchno.20260609 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260626 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS52062-26-7
  • Purity/Analytical Methods: >99.0%
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52062-26-7 / 4-methoxypyridine-2,6-dicarboxylic acid

Standard CAS: 52062-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52062-26-7
Multi CAS
No
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
InChI
InChI=1S/C8H7NO5/c1-14-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey
INGKNNWONGEVCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.71
TPSA
96.72

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

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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