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CAS 1256789-63-5 3-broMo-6-fluoro-2-Methoxypyridine molecular structure lightbox
CAS RN: 1256789-63-5

3-broMo-6-fluoro-2-Methoxypyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-030649
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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 1256789-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1256789-63-5 / 3-bromo-6-fluoro-2-methoxypyridine

Standard CAS: 1256789-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256789-63-5
Multi CAS
No
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
COC1=C(C=CC(=N1)F)Br
InChI
InChI=1S/C6H5BrFNO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
InChIKey
PNICWDLYYQDNLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.45
TPSA
22.12

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2.3
Consensus LogP
2.01
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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