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CAS 141034-82-4 Pyrimidine, 4,6-bis(4-chlorophenyl)- molecular structure lightbox
CAS RN: 141034-82-4

Pyrimidine, 4,6-bis(4-chlorophenyl)-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS141034-82-4
  • Purity/Analytical Methods: >99.0%
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141034-82-4 / 4,6-bis(4-chlorophenyl)pyrimidine

Standard CAS: 141034-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141034-82-4
Multi CAS
No
Molecular Formula
C16H10Cl2N2
Molecular Weight
301.200000
Exact Mass
300.022104
SMILES
C1=CC(=CC=C1C2=CC(=NC=N2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2/c17-13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKey
HTRMNASRDCVQKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
82.92
TPSA
25.78

LogP / Solubility

WLOGP
5.12
MLOGP
4.52
XLogP3
4.8
Consensus LogP
4.81
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92

Drug-likeness / Medicinal Chemistry

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

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