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CAS 52687-97-5 2-CHLORO-N-PYRIMIDIN-2-YL-ACETAMIDE molecular structure lightbox
CAS RN: 52687-97-5

2-CHLORO-N-PYRIMIDIN-2-YL-ACETAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52687-97-5
  • Purity/Analytical Methods: >99.0%
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52687-97-5 / 2-chloro-N-pyrimidin-2-ylacetamide

Standard CAS: 52687-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52687-97-5
Multi CAS
Yes
Molecular Formula
C6H6CLN3O
Molecular Weight
171.580000
Exact Mass
171.019940
InChI
InChI=1S/C6H6ClN3O/c7-4-5(11)10-6-8-2-1-3-9-6/h1-3H,4H2,(H,8,9,10,11)
InChIKey
JHKOSWFVNOWHEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.38
TPSA
54.88

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
-0.1
Consensus LogP
0.37
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.3

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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