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CAS 221087-47-4 N-(6-BROMOPYRIDIN-2-YL)PIVALAMIDE molecular structure lightbox
CAS RN: 221087-47-4

N-(6-BROMOPYRIDIN-2-YL)PIVALAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-106352
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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 221087-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

221087-47-4 / N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide

Standard CAS: 221087-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221087-47-4
Multi CAS
No
Molecular Formula
C10H13BrN2O
Molecular Weight
257.130000
Exact Mass
256.021130
SMILES
CC(C)(C)C(=O)NC1=NC(=CC=C1)Br
InChI
InChI=1S/C10H13BrN2O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
OZYPPHLDZUUCCI-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
2
H-bond donors
1
Molar refractivity
60.02
TPSA
41.99

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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