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CAS 1392466-94-2 6-Bromo-3-isopropoxy-2-methylpyridine molecular structure lightbox
CAS RN: 1392466-94-2

6-Bromo-3-isopropoxy-2-methylpyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-049682
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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 1392466-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1392466-94-2 / 6-bromo-2-methyl-3-propan-2-yloxypyridine

Standard CAS: 1392466-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392466-94-2
Multi CAS
No
Molecular Formula
C9H12BrNO
Molecular Weight
230.100000
Exact Mass
229.010230
SMILES
CC1=C(C=CC(=N1)Br)OC(C)C
InChI
InChI=1S/C9H12BrNO/c1-6(2)12-8-4-5-9(10)11-7(8)3/h4-6H,1-3H3
InChIKey
WNPJAXOQIIQTOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.44
TPSA
22.12

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.04

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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