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CAS 259807-47-1 5-Pyrimidinecarboxylic acid, 2-(4-pyridinyl)- (9CI) molecular structure lightbox
CAS RN: 259807-47-1

5-Pyrimidinecarboxylic acid, 2-(4-pyridinyl)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS259807-47-1
  • Purity/Analytical Methods: >99.0%
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259807-47-1 / 2-pyridin-4-ylpyrimidine-5-carboxylic acid

Standard CAS: 259807-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259807-47-1
Multi CAS
No
Molecular Formula
C10H7N3O2
Molecular Weight
201.180000
Exact Mass
201.053826
InChI
InChI=1S/C10H7N3O2/c14-10(15)8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1-6H,(H,14,15)
InChIKey
GTKJGOOMSODGOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.22
TPSA
75.97

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.3
Consensus LogP
0.88
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.07

Drug-likeness / Medicinal Chemistry

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

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