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CAS 29553-70-6 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid molecular structure lightbox
CAS RN: 29553-70-6

4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100mg In stock Shanghai Inquiry
Batchno.20260530 10mg In stock Shanghai Inquiry
Batchno.20250211 1mg In stock Shanghai Inquiry
Batchno.20251229 25mg In stock Shanghai Inquiry
Batchno.20250319 50mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS29553-70-6
  • Purity/Analytical Methods: >99.0%
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29553-70-6 / 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid

Standard CAS: 29553-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29553-70-6
Multi CAS
No
Molecular Formula
C14H9NO6
Molecular Weight
287.220000
Exact Mass
287.042987
InChI
InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
NBVHLJGGHJLTGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
70.55
TPSA
124.79

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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