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CAS 58536-45-1 4-methyl-2,6-diphenylpyrimidine molecular structure lightbox
CAS RN: 58536-45-1

4-methyl-2,6-diphenylpyrimidine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS58536-45-1
  • Purity/Analytical Methods: >99.0%
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58536-45-1 / 4-methyl-2,6-diphenylpyrimidine

Standard CAS: 58536-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58536-45-1
Multi CAS
No
Molecular Formula
C17H14N2
Molecular Weight
246.310000
Exact Mass
246.115698
InChI
InChI=1S/C17H14N2/c1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
CIFNETAIIQECIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.64
TPSA
25.78

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-1.3

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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