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CAS 37131-89-8 2,4-Dichloropyrimidine-5-carboxylic acid molecular structure lightbox
CAS RN: 37131-89-8

2,4-Dichloropyrimidine-5-carboxylic acid

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100mg In stock Shanghai Inquiry
Batchno.20250817 10g In stock Shanghai Inquiry
Batchno.20250219 1g In stock Shanghai Inquiry
Batchno.20250526 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250228 25g Out of stock Inquiry
Batchno.20251222 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS37131-89-8
  • Purity/Analytical Methods: >99.0%
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37131-89-8 / 2,4-dichloropyrimidine-5-carboxylic acid

Standard CAS: 37131-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37131-89-8
Multi CAS
No
Molecular Formula
C5H2CL2N2O2
Molecular Weight
192.980000
Exact Mass
191.949333
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
InChIKey
IVIHUCXXDVVSBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.01
TPSA
63.08

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.7
Consensus LogP
1.49
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.85

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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