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CAS 338965-09-6 5-(2,4-DICHLOROBENZYL)-2-(2-PYRIDINYL)-4,6-PYRIMIDINEDIAMINE molecular structure lightbox
CAS RN: 338965-09-6

5-(2,4-DICHLOROBENZYL)-2-(2-PYRIDINYL)-4,6-PYRIMIDINEDIAMINE

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260421 10mg Out of stock Inquiry
Batchno.20250518 1mg Out of stock Inquiry
Batchno.20250108 5mg Out of stock Inquiry
  • Product code: starshine_CAS338965-09-6
  • Purity/Analytical Methods: >99.0%
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338965-09-6 / 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

Standard CAS: 338965-09-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338965-09-6
Multi CAS
No
Molecular Formula
C16H13CL2N5
Molecular Weight
346.200000
Exact Mass
345.054801
InChI
InChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
InChIKey
LUGXKWLXOYRDIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.36
TPSA
90.71

LogP / Solubility

WLOGP
3.6
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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