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CAS 887581-47-7 6-CHLORO-3-(1-METHYLETHYL)-2,4-(1H,3H)-PYRIMIDINEDIONE molecular structure lightbox
CAS RN: 887581-47-7

6-CHLORO-3-(1-METHYLETHYL)-2,4-(1H,3H)-PYRIMIDINEDIONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-200362
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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 887581-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

887581-47-7 / 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione

Standard CAS: 887581-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887581-47-7
Multi CAS
Yes
Molecular Formula
C7H9CLN2O2
Molecular Weight
188.610000
Exact Mass
188.035255
InChI
InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)
InChIKey
KGNSZFNQYGWUGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.72
TPSA
54.86

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.75
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.32

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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