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CAS 715-46-8 4,6-DICHLORO-5-NITRO-2-(TRIFLUOROMETHYL)PYRIMIDINE molecular structure lightbox
CAS RN: 715-46-8

4,6-DICHLORO-5-NITRO-2-(TRIFLUOROMETHYL)PYRIMIDINE

  • Product code: SSC-181101
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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: 10g
  • 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 715-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

715-46-8 / 4,6-dichloro-5-nitro-2-(trifluoromethyl)pyrimidine

Standard CAS: 715-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
715-46-8
Multi CAS
No
Molecular Formula
C5CL2F3N3O2
Molecular Weight
261.970000
Exact Mass
260.931966
InChI
InChI=1S/C5Cl2F3N3O2/c6-2-1(13(14)15)3(7)12-4(11-2)5(8,9)10
InChIKey
YJCAJZCDJPUTJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.71
TPSA
68.92

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.9
Consensus LogP
2.67
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.39

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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