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CAS 10168-60-2 4-broMo-3-ethylpyridine molecular structure lightbox
CAS RN: 10168-60-2

4-broMo-3-ethylpyridine

  • Product code: SSC-002572
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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: ≥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 10168-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

10168-60-2 / 4-bromo-3-ethylpyridine

4-Bromo-3-ethylpyridine | DTXSID10578003 | RefChem:290845

Standard CAS: 10168-60-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10168-60-2
Multi CAS
Yes
Molecular Formula
C7H8BrN
Molecular Weight
186.050000
Exact Mass
184.984010
SMILES
CCC1=C(C=CN=C1)Br
InChI
InChI=1S/C7H8BrN/c1-2-6-5-9-4-3-7(6)8/h3-5H,2H2,1H3
InChIKey
ZSFOQETZPKDUIQ-UHFFFAOYSA-N
Synonyms
4-Bromo-3-ethylpyridine DTXSID10578003 RefChem:290845 DTXCID00528774 MFCD19543895

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.32
TPSA
12.89

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.3
Consensus LogP
2.28
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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