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CAS 1150632-94-2 5-Bromo-2-(dimethoxymethyl)pyridine molecular structure lightbox
CAS RN: 1150632-94-2

5-Bromo-2-(dimethoxymethyl)pyridine

  • Product code: SSC-014804
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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: ≥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 1150632-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1150632-94-2 / 5-bromo-2-(dimethoxymethyl)pyridine

5-Bromo-2-(dimethoxymethyl)pyridine | MFCD20486718 | SCHEMBL20236061

Standard CAS: 1150632-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150632-94-2
Multi CAS
No
Molecular Formula
C8H10BrNO2
Molecular Weight
232.070000
Exact Mass
230.989490
SMILES
COC(C1=NC=C(C=C1)Br)OC
InChI
InChI=1S/C8H10BrNO2/c1-11-8(12-2)7-4-3-6(9)5-10-7/h3-5,8H,1-2H3
InChIKey
NTYUVVUBDVQXOT-UHFFFAOYSA-N
Synonyms
5-Bromo-2-(dimethoxymethyl)pyridine MFCD20486718 SCHEMBL20236061 XH0843 AT22889

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
48.7
TPSA
31.35

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.2
Consensus LogP
1.74
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.62

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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