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CAS 917024-99-8 5-PyriMidineacetic acid, 2,4-dichloro-, ethyl ester molecular structure lightbox
CAS RN: 917024-99-8

5-PyriMidineacetic acid, 2,4-dichloro-, ethyl ester

  • Product code: SSC-205103
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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 917024-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

917024-99-8 / ethyl 2-(2,4-dichloropyrimidin-5-yl)acetate

Standard CAS: 917024-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917024-99-8
Multi CAS
No
Molecular Formula
C8H8CL2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
InChI
InChI=1S/C8H8Cl2N2O2/c1-2-14-6(13)3-5-4-11-8(10)12-7(5)9/h4H,2-3H2,1H3
InChIKey
WCIGLYJCLFKXQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.39
TPSA
52.08

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.81

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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