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CAS 83217-06-5 4,6-dibroMo-2-phenyl-PyriMidine molecular structure lightbox
CAS RN: 83217-06-5

4,6-dibroMo-2-phenyl-PyriMidine

  • Product code: SSC-191116
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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 83217-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

83217-06-5 / 4,6-dibromo-2-phenylpyrimidine

Standard CAS: 83217-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83217-06-5
Multi CAS
No
Molecular Formula
C10H6BR2N2
Molecular Weight
313.980000
Exact Mass
313.887720
InChI
InChI=1S/C10H6Br2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
InChIKey
SRTVVSLQGMWIAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.87
TPSA
25.78

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
4.3
Consensus LogP
3.74
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

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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