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CAS 2079886-11-4 2,6-Pyridinedicarboxylic acid, 4-(9H-carbazol-9-yl)- molecular structure lightbox
CAS RN: 2079886-11-4

2,6-Pyridinedicarboxylic acid, 4-(9H-carbazol-9-yl)-

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg In stock Shanghai Inquiry
Batchno.20260424 1g In stock Shanghai Inquiry
Batchno.20251112 250mg In stock Shanghai Inquiry
Batchno.20260602 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2079886-11-4
  • Purity/Analytical Methods: >99.0%
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2079886-11-4 / 4-carbazol-9-ylpyridine-2,6-dicarboxylic acid

Standard CAS: 2079886-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2079886-11-4
Multi CAS
No
Molecular Formula
C19H12N2O4
Molecular Weight
332.300000
Exact Mass
332.079707
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=NC(=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C19H12N2O4/c22-18(23)14-9-11(10-15(20-14)19(24)25)21-16-7-3-1-5-12(16)13-6-2-4-8-17(13)21/h1-10H,(H,22,23)(H,24,25)
InChIKey
YVZJQEFBCUVVBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
19
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.49
TPSA
92.42

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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