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CAS 263270-02-6 5-BROMO-3-PYRIDINECARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 263270-02-6

5-BROMO-3-PYRIDINECARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123716
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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 263270-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

263270-02-6 / tert-butyl 5-bromopyridine-3-carboxylate

Standard CAS: 263270-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263270-02-6
Multi CAS
No
Molecular Formula
C10H12BrNO2
Molecular Weight
258.110000
Exact Mass
257.005140
SMILES
CC(C)(C)OC(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-8(11)6-12-5-7/h4-6H,1-3H3
InChIKey
DINKXUCRJBUQAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.11
TPSA
39.19

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.31

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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