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CAS 1417518-37-6 3-Bromo-2-(iso-propyl)pyridine molecular structure lightbox
CAS RN: 1417518-37-6

3-Bromo-2-(iso-propyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052360
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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: 0.1g, 0.25g, 1g, 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 1417518-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1417518-37-6 / 3-bromo-2-propan-2-ylpyridine

Standard CAS: 1417518-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417518-37-6
Multi CAS
No
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
CC(C)C1=C(C=CC=N1)Br
InChI
InChI=1S/C8H10BrN/c1-6(2)8-7(9)4-3-5-10-8/h3-6H,1-2H3
InChIKey
NGGQBCREEXKCDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.03
TPSA
12.89

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-1.83

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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