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CAS 874754-20-8 6-AMINO-5-(CHLOROACETYL)-1-CYCLOPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE molecular structure lightbox
CAS RN: 874754-20-8

6-AMINO-5-(CHLOROACETYL)-1-CYCLOPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE

  • Product code: SSC-197466
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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: 0.25g
  • 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 874754-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

874754-20-8 / 6-amino-5-(2-chloroacetyl)-1-cyclopropylpyrimidine-2,4-dione

Standard CAS: 874754-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874754-20-8
Multi CAS
No
Molecular Formula
C9H10CLN3O3
Molecular Weight
243.650000
Exact Mass
243.041069
InChI
InChI=1S/C9H10ClN3O3/c10-3-5(14)6-7(11)13(4-1-2-4)9(16)12-8(6)15/h4H,1-3,11H2,(H,12,15,16)
InChIKey
LROVKHYXVSYZMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.06
TPSA
97.95

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.1
XLogP3
0.4
Consensus LogP
0.06
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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