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CAS 210354-17-9 2-(4-Bromophenyl)pyrimidine molecular structure lightbox
CAS RN: 210354-17-9

2-(4-Bromophenyl)pyrimidine

  • Product code: SSC-100119
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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 210354-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

210354-17-9 / 2-(4-bromophenyl)pyrimidine

Standard CAS: 210354-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210354-17-9
Multi CAS
No
Molecular Formula
C10H7BrN2
Molecular Weight
235.080000
Exact Mass
233.979260
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
InChIKey
PFLPZHPQFNFTRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.17
TPSA
25.78

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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