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CAS 1209458-34-3 3-bromo-5-tert-butylpyridine molecular structure lightbox
CAS RN: 1209458-34-3

3-bromo-5-tert-butylpyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022256
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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 1209458-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1209458-34-3 / 3-bromo-5-tert-butylpyridine

3-Bromo-5-(tert-butyl)pyridine | 3-BROMO-5-TERT-BUTYLPYRIDINE | MFCD14702750

Standard CAS: 1209458-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209458-34-3
Multi CAS
No
Molecular Formula
C9H12BrN
Molecular Weight
214.100000
Exact Mass
213.015310
SMILES
CC(C)(C)C1=CC(=CN=C1)Br
InChI
InChI=1S/C9H12BrN/c1-9(2,3)7-4-8(10)6-11-5-7/h4-6H,1-3H3
InChIKey
XNZQADYGVBDTEF-UHFFFAOYSA-N
Synonyms
3-Bromo-5-(tert-butyl)pyridine 3-BROMO-5-TERT-BUTYLPYRIDINE MFCD14702750 3-bromo-5-tert-butyl-pyridine SCHEMBL2732538

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.64
TPSA
12.89

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

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