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CAS 914347-82-3 5-BROMO-2-(PYRROLIDIN-3-YLOXY)PYRIMIDINE molecular structure lightbox
CAS RN: 914347-82-3

5-BROMO-2-(PYRROLIDIN-3-YLOXY)PYRIMIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-204531
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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 914347-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

914347-82-3 / 5-bromo-2-pyrrolidin-3-yloxypyrimidine

Standard CAS: 914347-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914347-82-3
Multi CAS
No
Molecular Formula
BC8H10ORn3
Molecular Weight
244.090000
Exact Mass
243.000720
InChI
InChI=1S/C8H10BrN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2
InChIKey
OJLUWWFOZOXWOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.63
TPSA
47.04

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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