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CAS 1086381-83-0 4-BroMo-2-cyclopropylpyriMidine molecular structure lightbox
CAS RN: 1086381-83-0

4-BroMo-2-cyclopropylpyriMidine

  • Product code: SSC-009888
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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 1086381-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1086381-83-0 / 4-bromo-2-cyclopropylpyrimidine

4-bromo-2-cyclopropylpyrimidine | 4-BROMO-2-(CYCLOPROPYL)PYRIMIDINE | MFCD11223249

Standard CAS: 1086381-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086381-83-0
Multi CAS
No
Molecular Formula
C7H7BrN2
Molecular Weight
199.050000
Exact Mass
197.979260
SMILES
C1CC1C2=NC=CC(=N2)Br
InChI
InChI=1S/C7H7BrN2/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2
InChIKey
ALAVWDPEXFVTEU-UHFFFAOYSA-N
Synonyms
4-bromo-2-cyclopropylpyrimidine 4-BROMO-2-(CYCLOPROPYL)PYRIMIDINE MFCD11223249 SCHEMBL587757 SCHEMBL789674

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.71
TPSA
25.78

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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