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CAS 785777-99-3 2-Chloro-5-iodo-4-(trifluoromethyl)pyrimidine molecular structure lightbox
CAS RN: 785777-99-3

2-Chloro-5-iodo-4-(trifluoromethyl)pyrimidine

  • Product code: SSC-187950
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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 785777-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

785777-99-3 / 2-chloro-5-iodo-4-(trifluoromethyl)pyrimidine

Standard CAS: 785777-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
785777-99-3
Multi CAS
No
Molecular Formula
C5HCLF3IN2
Molecular Weight
308.430000
Exact Mass
307.882510
InChI
InChI=1S/C5HClF3IN2/c6-4-11-1-2(10)3(12-4)5(7,8)9/h1H
InChIKey
FNLLTDZRPSTSMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
44.76
TPSA
25.78

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.63
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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