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CAS 1207175-73-2 tert-butyl 5-bromo-3-hydroxypyridin-2-ylcarbamate molecular structure lightbox
CAS RN: 1207175-73-2

tert-butyl 5-bromo-3-hydroxypyridin-2-ylcarbamate

  • Product code: SSC-021895
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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 1207175-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1207175-73-2 / tert-butyl N-(5-bromo-3-hydroxy-2-pyridinyl)carbamate

tert-butyl 5-bromo-3-hydroxypyridin-2-ylcarbamate | tert-Butyl (5-bromo-3-hydroxypyridin-2-yl)carbamate | MFCD12756114

Standard CAS: 1207175-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207175-73-2
Multi CAS
No
Molecular Formula
C10H13BrN2O3
Molecular Weight
289.130000
Exact Mass
288.010950
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=N1)Br)O
InChI
InChI=1S/C10H13BrN2O3/c1-10(2,3)16-9(15)13-8-7(14)4-6(11)5-12-8/h4-5,14H,1-3H3,(H,12,13,15)
InChIKey
FKSQRZXAISFJAG-UHFFFAOYSA-N
Synonyms
tert-butyl 5-bromo-3-hydroxypyridin-2-ylcarbamate tert-Butyl (5-bromo-3-hydroxypyridin-2-yl)carbamate MFCD12756114 tert-butyl N-(5-bromo-3-hydroxypyridin-2-yl)carbamate 2-(Boc-amino)-5-bromo-3-hydroxypyridine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.46
TPSA
71.45

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.1
Consensus LogP
2.52
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.43

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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