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CAS 25813-24-5 3,5-DibroMo-4-Methoxy-pyridine molecular structure lightbox
CAS RN: 25813-24-5

3,5-DibroMo-4-Methoxy-pyridine

  • Product code: SSC-122399
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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: 5g
  • Available purity: ＞97%
  • 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 25813-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

25813-24-5 / 3,5-dibromo-4-methoxypyridine

Standard CAS: 25813-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25813-24-5
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
COC1=C(C=NC=C1Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
InChIKey
VITQLRNAXLKYCU-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
46.19
TPSA
22.12

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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