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CAS 1821308-45-5 2,5,6-trichloro-3-methyl-3,4-dihydropyrimidin-4-one molecular structure lightbox
CAS RN: 1821308-45-5

2,5,6-trichloro-3-methyl-3,4-dihydropyrimidin-4-one

Product Availability

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250326 100mg Out of stock Inquiry
Batchno.20251006 10g Out of stock Inquiry
Batchno.20260428 1g Out of stock Inquiry
Batchno.20250330 250mg Out of stock Inquiry
Batchno.20250724 5g Out of stock Inquiry
  • Product code: SSC-083013
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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: ＞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 1821308-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1821308-45-5 / 2,5,6-trichloro-3-methylpyrimidin-4-one

Standard CAS: 1821308-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821308-45-5
Multi CAS
No
Molecular Formula
C5H3Cl3N2O
Molecular Weight
213.440000
Exact Mass
211.931096
SMILES
CN1C(=O)C(=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl3N2O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3
InChIKey
QYISNYYGONBDTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
44.51
TPSA
34.89

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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