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CAS 944905-88-8 2-(chloromethyl)pyrimidin-4-ol molecular structure lightbox
CAS RN: 944905-88-8

2-(chloromethyl)pyrimidin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS944905-88-8
  • Purity/Analytical Methods: >99.0%
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944905-88-8 / 2-(chloromethyl)-1H-pyrimidin-6-one

Standard CAS: 944905-88-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944905-88-8
Multi CAS
Yes
Molecular Formula
C5H5CLN2O
Molecular Weight
144.560000
Exact Mass
144.009041
InChI
InChI=1S/C5H5ClN2O/c6-3-4-7-2-1-5(9)8-4/h1-2H,3H2,(H,7,8,9)
InChIKey
UHPUYOIOPLNWKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.41
TPSA
45.75

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.2
Consensus LogP
0.38
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-3.24

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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