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CAS 1514932-23-0 tert-Butyl (4-bromo-6-fluoropyridin-3-yl)carbamate molecular structure lightbox
CAS RN: 1514932-23-0

tert-Butyl (4-bromo-6-fluoropyridin-3-yl)carbamate

  • Product code: SSC-061322
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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 1514932-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1514932-23-0 / tert-butyl N-(4-bromo-6-fluoro-3-pyridinyl)carbamate

Standard CAS: 1514932-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1514932-23-0
Multi CAS
No
Molecular Formula
C10H12BrFN2O2
Molecular Weight
291.120000
Exact Mass
290.006620
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1Br)F
InChI
InChI=1S/C10H12BrFN2O2/c1-10(2,3)16-9(15)14-7-5-13-8(12)4-6(7)11/h4-5H,1-3H3,(H,14,15)
InChIKey
JPFHBDQGSWVGHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.75
TPSA
51.22

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
2.5
Consensus LogP
2.92
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.13

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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