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CAS 17551-52-9 4(1H)-Pyrimidinone, 6-chloro-2-methyl- (9CI) molecular structure lightbox
CAS RN: 17551-52-9

4(1H)-Pyrimidinone, 6-chloro-2-methyl- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-077009
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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: 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 17551-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

17551-52-9 / 4-chloro-2-methyl-1H-pyrimidin-6-one

Standard CAS: 17551-52-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17551-52-9
Multi CAS
No
Molecular Formula
C5H5ClN2O
Molecular Weight
144.560000
Exact Mass
144.009041
SMILES
CC1=NC(=CC(=O)N1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKey
QNANRGHPXMUJQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
45.75

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.1
Consensus LogP
0.49
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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