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CAS 85069-60-9 N-Boc-2-amino-3-bromothiophene molecular structure lightbox
CAS RN: 85069-60-9

N-Boc-2-amino-3-bromothiophene

  • Product code: SSC-193093
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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 85069-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

85069-60-9 / tert-butyl N-(3-bromothiophen-2-yl)carbamate

Standard CAS: 85069-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85069-60-9
Multi CAS
No
Molecular Formula
BC9H12O2RnS
Molecular Weight
278.170000
Exact Mass
276.977210
InChI
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-6(10)4-5-14-7/h4-5H,1-3H3,(H,11,12)
InChIKey
BHWDDKRHHBHKGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.88
TPSA
38.33

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.2
Consensus LogP
3.49
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

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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