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CAS 24755-82-6 ETHYL 4-CHLORO-2-PHENYL-5-PYRIMIDINECARBOXYLATE molecular structure lightbox
CAS RN: 24755-82-6

ETHYL 4-CHLORO-2-PHENYL-5-PYRIMIDINECARBOXYLATE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260120 100mg In stock Shanghai Inquiry
Batchno.20250725 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250629 1g In stock Shanghai Inquiry
Batchno.20250501 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS24755-82-6
  • Purity/Analytical Methods: >99.0%
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24755-82-6 / ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate

Standard CAS: 24755-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24755-82-6
Multi CAS
No
Molecular Formula
C13H11ClN2O2
Molecular Weight
262.690000
Exact Mass
262.050905
SMILES
CCOC(=O)C1=CN=C(N=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-8-15-12(16-11(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
VXWYTPARKVGWFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.43
TPSA
52.08

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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