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CAS 1416351-95-5 1-(2-Chloro-5-MethylpyriMidin-4-yl)ethanone molecular structure lightbox
CAS RN: 1416351-95-5

1-(2-Chloro-5-MethylpyriMidin-4-yl)ethanone

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260318 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250212 1g Out of stock Inquiry
Batchno.20251201 250mg Out of stock Inquiry
  • Product code: SSC-052054
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1416351-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1416351-95-5 / 1-(2-chloro-5-methylpyrimidin-4-yl)ethanone

Standard CAS: 1416351-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416351-95-5
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
CC1=CN=C(N=C1C(=O)C)Cl
InChI
InChI=1S/C7H7ClN2O/c1-4-3-9-7(8)10-6(4)5(2)11/h3H,1-2H3
InChIKey
NXAHJYYUFCTRQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.78
TPSA
42.85

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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