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CAS 94170-69-1 4-Chloro-6-(chloroMethyl)-2-MethoxypyriMidine molecular structure lightbox
CAS RN: 94170-69-1

4-Chloro-6-(chloroMethyl)-2-MethoxypyriMidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94170-69-1
  • Purity/Analytical Methods: >99.0%
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94170-69-1 / 4-chloro-6-(chloromethyl)-2-methoxypyrimidine

Standard CAS: 94170-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94170-69-1
Multi CAS
No
Molecular Formula
C6H6CL2N2O
Molecular Weight
193.030000
Exact Mass
191.985718
InChI
InChI=1S/C6H6Cl2N2O/c1-11-6-9-4(3-7)2-5(8)10-6/h2H,3H2,1H3
InChIKey
GHIOHXJNIOGCKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.15
TPSA
35.01

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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