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CAS 1209459-25-5 2-BroMo-5-ethoxypyriMidine molecular structure lightbox
CAS RN: 1209459-25-5

2-BroMo-5-ethoxypyriMidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-022271
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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 1209459-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1209459-25-5 / 2-bromo-5-ethoxypyrimidine

2-BROMO-5-ETHOXYPYRIMIDINE | MFCD14702725 | 2-bromo-5-ethoxy-pyrimidine

Standard CAS: 1209459-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209459-25-5
Multi CAS
No
Molecular Formula
C6H7BrN2O
Molecular Weight
203.040000
Exact Mass
201.974180
SMILES
CCOC1=CN=C(N=C1)Br
InChI
InChI=1S/C6H7BrN2O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
InChIKey
MQQQZMXLZDNPAV-UHFFFAOYSA-N
Synonyms
2-BROMO-5-ETHOXYPYRIMIDINE MFCD14702725 2-bromo-5-ethoxy-pyrimidine SCHEMBL23154004 AKOS025290240

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.9
TPSA
35.01

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.8

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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